CID 3329934

116477-70-4

Structural Information

Molecular Formula
C21H17N5O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N
InChI
InChI=1S/C21H17N5O4/c1-28-16-8-12(9-17(29-2)18(16)30-3)20(27)24-19-13(10-22)11-26-15-7-5-4-6-14(15)23-21(26)25-19/h4-9,11H,1-3H3,(H,23,24,25,27)
InChIKey
AQEKTALECSOUPJ-UHFFFAOYSA-N
Compound name
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.12805 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.13533 197.9
[M+Na]+ 426.11727 211.7
[M+NH4]+ 421.16187 200.1
[M+K]+ 442.09121 203.4
[M-H]- 402.12077 193.3
[M+Na-2H]- 424.10272 200.5
[M]+ 403.12750 197.7
[M]- 403.12860 197.7
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.