CID 984659

384793-71-9

Structural Information

Molecular Formula
C23H20ClN5
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C5=CC=C(C=C5)Cl)C#N
InChI
InChI=1S/C23H20ClN5/c1-16-14-22(28-12-10-27(11-13-28)18-8-6-17(24)7-9-18)29-21-5-3-2-4-20(21)26-23(29)19(16)15-25/h2-9,14H,10-13H2,1H3
InChIKey
NAQWWDRQWVZGPL-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.14072 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14800 197.9
[M+Na]+ 424.12994 210.3
[M-H]- 400.13344 200.3
[M+NH4]+ 419.17454 205.9
[M+K]+ 440.10388 196.8
[M+H-H2O]+ 384.13798 178.6
[M+HCOO]- 446.13892 204.1
[M+CH3COO]- 460.15457 204.2
[M+Na-2H]- 422.11539 197.8
[M]+ 401.14017 192.9
[M]- 401.14127 192.9
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.