CID 508793

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

Structural Information

Molecular Formula
C25H32ClN3O4S
SMILES
CC(C)(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C
InChI
InChI=1S/C25H32ClN3O4S/c1-25(2,28-23(30)20-5-4-6-22(15-20)34(3,32)33)24(31)27-16-18-11-13-29(14-12-18)17-19-7-9-21(26)10-8-19/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,27,31)(H,28,30)
InChIKey
DQCCYZLJSSGRNV-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-methyl-1-oxopropan-2-yl]-3-methylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.1802 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.18748 217.8
[M+Na]+ 528.16942 219.8
[M-H]- 504.17292 224.5
[M+NH4]+ 523.21402 223.0
[M+K]+ 544.14336 214.0
[M+H-H2O]+ 488.17746 208.7
[M+HCOO]- 550.17840 223.1
[M+CH3COO]- 564.19405 241.7
[M+Na-2H]- 526.15487 217.6
[M]+ 505.17965 219.2
[M]- 505.18075 219.2
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.