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]+ 400.17681 199.6
[M+Na]+ 422.15875 209.3
[M-H]- 398.16225 201.6
[M+NH4]+ 417.20335 207.9
[M+K]+ 438.13269 200.3
[M+H-H2O]+ 382.16679 181.8
[M+HCOO]- 444.16773 213.8
[M+CH3COO]- 458.18338 206.3
[M+Na-2H]- 420.14420 201.2
[M]+ 399.16898 197.8
[M]- 399.17008 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.