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	187.8
[M+Na]+	390.15365	197.7
[M-H]-	366.15715	194.1
[M+NH4]+	385.19825	198.3
[M+K]+	406.12759	192.6
[M+H-H2O]+	350.16169	177.7
[M+HCOO]-	412.16263	206.2
[M+CH3COO]-	426.17828	197.8
[M+Na-2H]-	388.13910	191.4
[M]+	367.16388	190.1
[M]-	367.16498	190.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

368.17171

187.8

[M+Na]+

390.15365

197.7

[M-H]-

366.15715

194.1

[M+NH4]+

385.19825

198.3

[M+K]+

406.12759

192.6

[M+H-H2O]+

350.16169

177.7

[M+HCOO]-

412.16263

206.2

[M+CH3COO]-

426.17828

197.8

[M+Na-2H]-

388.13910

191.4

[M]+

367.16388

190.1

[M]-

367.16498

190.1

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

Patent stripe