CID 1538659

611197-78-5

Structural Information

Molecular Formula
C25H26N4O2
SMILES
CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCC4=CC(=C(C=C4)OC)OC)C#N
InChI
InChI=1S/C25H26N4O2/c1-16(2)18-14-24(27-12-11-17-9-10-22(30-3)23(13-17)31-4)29-21-8-6-5-7-20(21)28-25(29)19(18)15-26/h5-10,13-14,16,27H,11-12H2,1-4H3
InChIKey
GAIGUOPPRABVJK-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

414.20557 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21285 205.9
[M+Na]+ 437.19479 216.8
[M-H]- 413.19829 209.7
[M+NH4]+ 432.23939 215.7
[M+K]+ 453.16873 207.6
[M+H-H2O]+ 397.20283 189.0
[M+HCOO]- 459.20377 221.6
[M+CH3COO]- 473.21942 213.3
[M+Na-2H]- 435.18024 206.2
[M]+ 414.20502 206.4
[M]- 414.20612 206.4
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.