CID 5080648

N-(3-cyanopyrimido(1,2-a)benzimidazol-2-yl)-2-(isopentyloxy)benzamide

Structural Information

Molecular Formula
C23H21N5O2
SMILES
CC(C)CCOC1=CC=CC=C1C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N
InChI
InChI=1S/C23H21N5O2/c1-15(2)11-12-30-20-10-6-3-7-17(20)22(29)26-21-16(13-24)14-28-19-9-5-4-8-18(19)25-23(28)27-21/h3-10,14-15H,11-12H2,1-2H3,(H,25,26,27,29)
InChIKey
ANLBDJOBDWJOPD-UHFFFAOYSA-N
Compound name
N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-(3-methylbutoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.16953 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.176806 199.6
[M+Na]+ 422.158748 209.3
[M-H]- 398.162254 201.6
[M+NH4]+ 417.203353 207.9
[M+K]+ 438.132688 200.3
[M+H-H2O]+ 382.166790 181.8
[M+HCOO]- 444.167731 213.8
[M+CH3COO]- 458.183381 206.3
[M+Na-2H]- 420.144196 201.2
[M]+ 399.16898142 197.8
[M]- 399.17007858 197.8
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.