CID 201662

1-(1-(1-p-chlorophenylethyl)-4-piperidyl)-3-(2-cyanoethyl)-3-benzimidazolinone hydrochloride

Structural Information

Molecular Formula
C23H25ClN4O
SMILES
CC(C1=CC=C(C=C1)Cl)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCC#N
InChI
InChI=1S/C23H25ClN4O/c1-17(18-7-9-19(24)10-8-18)26-15-11-20(12-16-26)28-22-6-3-2-5-21(22)27(23(28)29)14-4-13-25/h2-3,5-10,17,20H,4,11-12,14-16H2,1H3
InChIKey
SWWAVNFEFVMDAG-UHFFFAOYSA-N
Compound name
3-[3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1717 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.17898 199.2
[M+Na]+ 431.16092 209.5
[M-H]- 407.16442 202.4
[M+NH4]+ 426.20552 207.5
[M+K]+ 447.13486 198.2
[M+H-H2O]+ 391.16896 181.1
[M+HCOO]- 453.16990 206.8
[M+CH3COO]- 467.18555 205.6
[M+Na-2H]- 429.14637 196.8
[M]+ 408.17115 194.9
[M]- 408.17225 194.9
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

patents stripe