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]+ 378.22884 188.5
[M+Na]+ 400.21078 197.2
[M-H]- 376.21428 190.0
[M+NH4]+ 395.25538 196.8
[M+K]+ 416.18472 188.3
[M+H-H2O]+ 360.21882 170.6
[M+HCOO]- 422.21976 200.2
[M+CH3COO]- 436.23541 195.1
[M+Na-2H]- 398.19623 190.7
[M]+ 377.22101 184.0
[M]- 377.22211 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.