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 182.4
[M+Na]+ 389.06972 188.8
[M-H]- 365.07322 190.1
[M+NH4]+ 384.11432 195.7
[M+K]+ 405.04366 184.2
[M+H-H2O]+ 349.07776 175.3
[M+HCOO]- 411.07870 195.5
[M+CH3COO]- 425.09435 218.6
[M+Na-2H]- 387.05517 182.6
[M]+ 366.07995 187.0
[M]- 366.08105 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.