CID 984657

354131-66-1

Structural Information

Molecular Formula
C23H21N5
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C5=CC=CC=C5)C#N
InChI
InChI=1S/C23H21N5/c1-17-15-22(27-13-11-26(12-14-27)18-7-3-2-4-8-18)28-21-10-6-5-9-20(21)25-23(28)19(17)16-24/h2-10,15H,11-14H2,1H3
InChIKey
XXEYDWQRVNODFO-UHFFFAOYSA-N
Compound name
3-methyl-1-(4-phenylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

367.1797 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18698 190.4
[M+Na]+ 390.16892 201.2
[M-H]- 366.17242 192.8
[M+NH4]+ 385.21352 198.5
[M+K]+ 406.14286 188.7
[M+H-H2O]+ 350.17696 170.9
[M+HCOO]- 412.17790 200.8
[M+CH3COO]- 426.19355 196.9
[M+Na-2H]- 388.15437 191.5
[M]+ 367.17915 183.0
[M]- 367.18025 183.0
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.