CID 1542058

612522-84-6

Structural Information

Molecular Formula
C27H29N5O
SMILES
CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)CC5=CC=C(C=C5)OC)C#N
InChI
InChI=1S/C27H29N5O/c1-3-6-21-17-26(32-25-8-5-4-7-24(25)29-27(32)23(21)18-28)31-15-13-30(14-16-31)19-20-9-11-22(33-2)12-10-20/h4-5,7-12,17H,3,6,13-16,19H2,1-2H3
InChIKey
CAVGAOGEAJECCS-UHFFFAOYSA-N
Compound name
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.2372 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.24448 208.4
[M+Na]+ 462.22642 217.9
[M-H]- 438.22992 210.5
[M+NH4]+ 457.27102 214.0
[M+K]+ 478.20036 205.6
[M+H-H2O]+ 422.23446 188.3
[M+HCOO]- 484.23540 217.6
[M+CH3COO]- 498.25105 213.4
[M+Na-2H]- 460.21187 207.1
[M]+ 439.23665 203.5
[M]- 439.23775 203.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.