CID 4349010

5-chloro-n-(3-cyanopyrimido(1,2-a)benzimidazol-2-yl)-2-(pentyloxy)benzamide

Structural Information

Molecular Formula
C23H20ClN5O2
SMILES
CCCCCOC1=C(C=C(C=C1)Cl)C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N
InChI
InChI=1S/C23H20ClN5O2/c1-2-3-6-11-31-20-10-9-16(24)12-17(20)22(30)27-21-15(13-25)14-29-19-8-5-4-7-18(19)26-23(29)28-21/h4-5,7-10,12,14H,2-3,6,11H2,1H3,(H,26,27,28,30)
InChIKey
LAABJFUNHVYQRQ-UHFFFAOYSA-N
Compound name
5-chloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-pentoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.13055 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.13783 205.3
[M+Na]+ 456.11977 216.9
[M-H]- 432.12327 207.3
[M+NH4]+ 451.16437 213.5
[M+K]+ 472.09371 206.3
[M+H-H2O]+ 416.12781 187.8
[M+HCOO]- 478.12875 216.2
[M+CH3COO]- 492.14440 212.0
[M+Na-2H]- 454.10522 206.8
[M]+ 433.13000 206.5
[M]- 433.13110 206.5
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.