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]+ 367.087776 182.4
[M+Na]+ 389.069718 188.8
[M-H]- 365.073224 190.1
[M+NH4]+ 384.114323 195.7
[M+K]+ 405.043658 184.2
[M+H-H2O]+ 349.077760 175.3
[M+HCOO]- 411.078701 195.5
[M+CH3COO]- 425.094351 218.6
[M+Na-2H]- 387.055166 182.6
[M]+ 366.07995142 187.0
[M]- 366.08104858 187.0
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.