CID 3051970

68252-77-7

Structural Information

Molecular Formula
C17H19ClN2O3S
SMILES
CC(CC(=O)N(C)C1=C(C=C(C=C1)S(=O)(=O)N)Cl)C2=CC=CC=C2
InChI
InChI=1S/C17H19ClN2O3S/c1-12(13-6-4-3-5-7-13)10-17(21)20(2)16-9-8-14(11-15(16)18)24(19,22)23/h3-9,11-12H,10H2,1-2H3,(H2,19,22,23)
InChIKey
ARJVXJRYNYNSLM-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-sulfamoylphenyl)-N-methyl-3-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0805 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08778 183.0
[M+Na]+ 389.06972 194.0
[M+NH4]+ 384.11432 189.6
[M+K]+ 405.04366 186.9
[M-H]- 365.07322 186.5
[M+Na-2H]- 387.05517 189.7
[M]+ 366.07995 186.2
[M]- 366.08105 186.2
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.