CID 508761

Benzamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-3-(methylsulfonyl)-

Structural Information

Molecular Formula
C23H28ClN3O4S
SMILES
CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-4-2-3-19(13-21)23(29)26-15-22(28)25-14-17-9-11-27(12-10-17)16-18-5-7-20(24)8-6-18/h2-8,13,17H,9-12,14-16H2,1H3,(H,25,28)(H,26,29)
InChIKey
ZRHCBJPYGJCXHL-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-3-methylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.1489 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.15618 210.1
[M+Na]+ 500.13812 212.9
[M-H]- 476.14162 217.0
[M+NH4]+ 495.18272 216.5
[M+K]+ 516.11206 206.6
[M+H-H2O]+ 460.14616 200.9
[M+HCOO]- 522.14710 217.7
[M+CH3COO]- 536.16275 235.5
[M+Na-2H]- 498.12357 209.4
[M]+ 477.14835 211.4
[M]- 477.14945 211.4
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.