2-imino-n,10-dimethyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (C22H21N5O2)

Structural Information

Molecular Formula

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC=CC=C4)C(=O)NC

InChI

InChI=1S/C22H21N5O2/c1-14-7-6-11-27-19(14)25-20-17(22(27)29)13-16(21(28)24-2)18(23)26(20)12-10-15-8-4-3-5-9-15/h3-9,11,13,23H,10,12H2,1-2H3,(H,24,28)

InChIKey

MYGRCSILZFUTOZ-UHFFFAOYSA-N

Compound name

6-imino-N,11-dimethyl-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	388.176806	195.4
[M+Na]+	410.158748	205.9
[M-H]-	386.162254	200.9
[M+NH4]+	405.203353	204.4
[M+K]+	426.132688	198.1
[M+H-H2O]+	370.166790	183.7
[M+HCOO]-	432.167731	215.2
[M+CH3COO]-	446.183381	204.7
[M+Na-2H]-	408.144196	202.1
[M]+	387.16898142	198.4
[M]-	387.17007858	198.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

388.176806

195.4

[M+Na]+

410.158748

205.9

[M-H]-

386.162254

200.9

[M+NH4]+

405.203353

204.4

[M+K]+

426.132688

198.1

[M+H-H2O]+

370.166790

183.7

[M+HCOO]-

432.167731

215.2

[M+CH3COO]-

446.183381

204.7

[M+Na-2H]-

408.144196

202.1

[M]+

387.16898142

198.4

[M]-

387.17007858

198.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-imino-n,10-dimethyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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