CID 661025

611197-75-2

Structural Information

Molecular Formula
C21H25N5O
SMILES
CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCN4CCOCC4)C#N
InChI
InChI=1S/C21H25N5O/c1-15(2)16-13-20(23-7-8-25-9-11-27-12-10-25)26-19-6-4-3-5-18(19)24-21(26)17(16)14-22/h3-6,13,15,23H,7-12H2,1-2H3
InChIKey
IYLBVVFAHQUHRL-UHFFFAOYSA-N
Compound name
1-(2-morpholin-4-ylethylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

363.2059 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.21318 186.5
[M+Na]+ 386.19512 195.2
[M-H]- 362.19862 188.2
[M+NH4]+ 381.23972 195.2
[M+K]+ 402.16906 187.0
[M+H-H2O]+ 346.20316 168.8
[M+HCOO]- 408.20410 197.5
[M+CH3COO]- 422.21975 193.2
[M+Na-2H]- 384.18057 188.0
[M]+ 363.20535 181.1
[M]- 363.20645 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.