CID 508943

3,4-dichloro-n-[(1s)-1-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylcarbamoyl]-2-methyl-propyl]benzamide

Structural Information

Molecular Formula
C25H30Cl3N3O2
SMILES
CC(C)[C@@H](C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C25H30Cl3N3O2/c1-16(2)23(30-24(32)19-5-8-21(27)22(28)13-19)25(33)29-14-17-9-11-31(12-10-17)15-18-3-6-20(26)7-4-18/h3-8,13,16-17,23H,9-12,14-15H2,1-2H3,(H,29,33)(H,30,32)/t23-/m0/s1
InChIKey
JGZCMMPDNUHEPH-QHCPKHFHSA-N
Compound name
3,4-dichloro-N-[(2S)-1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.14035 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.14763 217.2
[M+Na]+ 532.12957 219.8
[M-H]- 508.13307 222.0
[M+NH4]+ 527.17417 223.0
[M+K]+ 548.10351 212.8
[M+H-H2O]+ 492.13761 208.7
[M+HCOO]- 554.13855 218.0
[M+CH3COO]- 568.15420 244.5
[M+Na-2H]- 530.11502 211.1
[M]+ 509.13980 217.9
[M]- 509.14090 217.9
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.