CID 71681561

1443437-74-8

Structural Information

Molecular Formula
C23H21ClN2O3
SMILES
C1CC(CN(C1)C(=O)C2=CC=CC(=C2)C3=CC=CO3)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H21ClN2O3/c24-19-8-10-20(11-9-19)25-22(27)18-6-2-12-26(15-18)23(28)17-5-1-4-16(14-17)21-7-3-13-29-21/h1,3-5,7-11,13-14,18H,2,6,12,15H2,(H,25,27)
InChIKey
HERLZBNILRVHQN-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

28
Patents

408.12408 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13136 198.4
[M+Na]+ 431.11330 202.9
[M-H]- 407.11680 209.5
[M+NH4]+ 426.15790 207.4
[M+K]+ 447.08724 197.6
[M+H-H2O]+ 391.12134 188.1
[M+HCOO]- 453.12228 211.8
[M+CH3COO]- 467.13793 206.9
[M+Na-2H]- 429.09875 196.7
[M]+ 408.12353 197.3
[M]- 408.12463 197.3
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

patents stripe