CID 1542065

612522-99-3

Structural Information

Molecular Formula
C27H29N5O
SMILES
CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)CCOC5=CC=CC=C5)C#N
InChI
InChI=1S/C27H29N5O/c1-2-8-21-19-26(32-25-12-7-6-11-24(25)29-27(32)23(21)20-28)31-15-13-30(14-16-31)17-18-33-22-9-4-3-5-10-22/h3-7,9-12,19H,2,8,13-18H2,1H3
InChIKey
FMSPDGUVHSBUOQ-UHFFFAOYSA-N
Compound name
1-[4-(2-phenoxyethyl)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

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.24448 215.5
[M+Na]+ 462.22642 230.7
[M+NH4]+ 457.27102 219.3
[M+K]+ 478.20036 218.6
[M-H]- 438.22992 213.3
[M+Na-2H]- 460.21187 219.2
[M]+ 439.23665 216.4
[M]- 439.23775 216.4
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.