CID 3051969

68252-76-6

Structural Information

Molecular Formula
C16H17ClN2O3S
SMILES
CC(CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N)Cl)C2=CC=CC=C2
InChI
InChI=1S/C16H17ClN2O3S/c1-11(12-5-3-2-4-6-12)9-16(20)19-15-8-7-13(10-14(15)17)23(18,21)22/h2-8,10-11H,9H2,1H3,(H,19,20)(H2,18,21,22)
InChIKey
JMFMZOFABXASMP-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-sulfamoylphenyl)-3-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.06485 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07213 178.4
[M+Na]+ 375.05407 185.1
[M-H]- 351.05757 184.7
[M+NH4]+ 370.09867 191.6
[M+K]+ 391.02801 179.2
[M+H-H2O]+ 335.06211 171.7
[M+HCOO]- 397.06305 191.3
[M+CH3COO]- 411.07870 212.4
[M+Na-2H]- 373.03952 179.7
[M]+ 352.06430 181.3
[M]- 352.06540 181.3
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.