CID 3661535

N-(3-cyanopyrimido(1,2-a)benzimidazol-2-yl)-3,4-dimethoxybenzamide

Structural Information

Molecular Formula
C20H15N5O3
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N)OC
InChI
InChI=1S/C20H15N5O3/c1-27-16-8-7-12(9-17(16)28-2)19(26)23-18-13(10-21)11-25-15-6-4-3-5-14(15)22-20(25)24-18/h3-9,11H,1-2H3,(H,22,23,24,26)
InChIKey
QQRHDVBTZSKFIJ-UHFFFAOYSA-N
Compound name
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1175 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12478 189.9
[M+Na]+ 396.10672 201.7
[M-H]- 372.11022 192.6
[M+NH4]+ 391.15132 199.4
[M+K]+ 412.08066 193.6
[M+H-H2O]+ 356.11476 172.5
[M+HCOO]- 418.11570 206.0
[M+CH3COO]- 432.13135 198.0
[M+Na-2H]- 394.09217 193.4
[M]+ 373.11695 189.4
[M]- 373.11805 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.