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 206.8
[M+Na]+ 462.22642 215.6
[M-H]- 438.22992 208.5
[M+NH4]+ 457.27102 212.1
[M+K]+ 478.20036 203.2
[M+H-H2O]+ 422.23446 186.5
[M+HCOO]- 484.23540 216.1
[M+CH3COO]- 498.25105 211.6
[M+Na-2H]- 460.21187 206.3
[M]+ 439.23665 201.5
[M]- 439.23775 201.5
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.