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]+ 364.213176 186.5
[M+Na]+ 386.195118 195.2
[M-H]- 362.198624 188.2
[M+NH4]+ 381.239723 195.2
[M+K]+ 402.169058 187.0
[M+H-H2O]+ 346.203160 168.8
[M+HCOO]- 408.204101 197.5
[M+CH3COO]- 422.219751 193.2
[M+Na-2H]- 384.180566 188.0
[M]+ 363.20535142 181.1
[M]- 363.20644858 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.