CID 508782

2-thiophenecarboxamide, n-[1-[[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]carbonyl]-2-methylpropyl]-5-(methylsulfonyl)-

Structural Information

Molecular Formula
C24H32ClN3O4S2
SMILES
CC(C)C(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(S3)S(=O)(=O)C
InChI
InChI=1S/C24H32ClN3O4S2/c1-16(2)22(27-23(29)20-8-9-21(33-20)34(3,31)32)24(30)26-14-17-10-12-28(13-11-17)15-18-4-6-19(25)7-5-18/h4-9,16-17,22H,10-15H2,1-3H3,(H,26,30)(H,27,29)
InChIKey
NAMGKUJWQADMMA-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-5-methylsulfonylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.1523 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.15958 220.7
[M+Na]+ 548.14152 222.0
[M-H]- 524.14502 227.3
[M+NH4]+ 543.18612 227.3
[M+K]+ 564.11546 216.1
[M+H-H2O]+ 508.14956 213.7
[M+HCOO]- 570.15050 221.6
[M+CH3COO]- 584.16615 243.1
[M+Na-2H]- 546.12697 215.6
[M]+ 525.15175 223.3
[M]- 525.15285 223.3
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.