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]+ 415.212846 205.9
[M+Na]+ 437.194788 216.8
[M-H]- 413.198294 209.7
[M+NH4]+ 432.239393 215.7
[M+K]+ 453.168728 207.6
[M+H-H2O]+ 397.202830 189.0
[M+HCOO]- 459.203771 221.6
[M+CH3COO]- 473.219421 213.3
[M+Na-2H]- 435.180236 206.2
[M]+ 414.20502142 206.4
[M]- 414.20611858 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.