CID 508969

(2s)-2-[(4-chlorophenyl)carbamoylamino]-n-[[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]methyl]propanamide

Structural Information

Molecular Formula
C23H27Cl3N4O2
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H27Cl3N4O2/c1-15(28-23(32)29-19-5-3-18(24)4-6-19)22(31)27-13-16-8-10-30(11-9-16)14-17-2-7-20(25)21(26)12-17/h2-7,12,15-16H,8-11,13-14H2,1H3,(H,27,31)(H2,28,29,32)/t15-/m0/s1
InChIKey
OZDFVOREVAJYEF-HNNXBMFYSA-N
Compound name
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.11996 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.12724 214.5
[M+Na]+ 519.10918 217.5
[M-H]- 495.11268 219.5
[M+NH4]+ 514.15378 220.7
[M+K]+ 535.08312 210.5
[M+H-H2O]+ 479.11722 206.0
[M+HCOO]- 541.11816 217.9
[M+CH3COO]- 555.13381 242.5
[M+Na-2H]- 517.09463 210.9
[M]+ 496.11941 214.5
[M]- 496.12051 214.5
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.