CID 3157185

612522-96-0

Structural Information

Molecular Formula
C22H27N5O
SMILES
CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCCN4CCOCC4)C#N
InChI
InChI=1S/C22H27N5O/c1-2-6-17-15-21(24-9-5-10-26-11-13-28-14-12-26)27-20-8-4-3-7-19(20)25-22(27)18(17)16-23/h3-4,7-8,15,24H,2,5-6,9-14H2,1H3
InChIKey
IOWOQHPRCPCINP-UHFFFAOYSA-N
Compound name
1-(3-morpholin-4-ylpropylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

377.22156 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.228836 188.5
[M+Na]+ 400.210778 197.2
[M-H]- 376.214284 190.0
[M+NH4]+ 395.255383 196.8
[M+K]+ 416.184718 188.3
[M+H-H2O]+ 360.218820 170.6
[M+HCOO]- 422.219761 200.2
[M+CH3COO]- 436.235411 195.1
[M+Na-2H]- 398.196226 190.7
[M]+ 377.22101142 184.0
[M]- 377.22210858 184.0
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.