CID 71681561

Ccg-203971

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

19
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.