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]+ 368.186976 190.4
[M+Na]+ 390.168918 201.2
[M-H]- 366.172424 192.8
[M+NH4]+ 385.213523 198.5
[M+K]+ 406.142858 188.7
[M+H-H2O]+ 350.176960 170.9
[M+HCOO]- 412.177901 200.8
[M+CH3COO]- 426.193551 196.9
[M+Na-2H]- 388.154366 191.5
[M]+ 367.17915142 183.0
[M]- 367.18024858 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.