PubChemLite - 2-imino-n,10-dimethyl-5-oxo-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (C19H21N5O3)

Structural Information

Molecular Formula

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NC

InChI

InChI=1S/C19H21N5O3/c1-11-5-3-7-23-16(11)22-17-14(19(23)26)9-13(18(25)21-2)15(20)24(17)10-12-6-4-8-27-12/h3,5,7,9,12,20H,4,6,8,10H2,1-2H3,(H,21,25)

InChIKey

SFAZATAMYDYBDM-UHFFFAOYSA-N

Compound name

6-imino-N,11-dimethyl-2-oxo-7-(oxolan-2-ylmethyl)-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]+	368.17171	186.5
[M+Na]+	390.15365	200.0
[M+NH4]+	385.19825	192.1
[M+K]+	406.12759	195.9
[M-H]-	366.15715	191.0
[M+Na-2H]-	388.13910	190.7
[M]+	367.16388	189.4
[M]-	367.16498	189.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

368.17171

186.5

[M+Na]+

390.15365

200.0

[M+NH4]+

385.19825

192.1

[M+K]+

406.12759

195.9

[M-H]-

366.15715

191.0

[M+Na-2H]-

388.13910

190.7

[M]+

367.16388

189.4

[M]-

367.16498

189.4

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-(tetrahydro-2-furanylmethyl)-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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