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 196.3
[M+Na]+ 426.11727 208.0
[M-H]- 402.12077 199.3
[M+NH4]+ 421.16187 204.8
[M+K]+ 442.09121 200.8
[M+H-H2O]+ 386.12531 178.9
[M+HCOO]- 448.12625 212.2
[M+CH3COO]- 462.14190 204.1
[M+Na-2H]- 424.10272 198.9
[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.