CID 3727485

2-chloro-n-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

Structural Information

Molecular Formula
C11H15ClN2O3S
SMILES
CC1=C(C=C(C=C1)NC(=O)CCl)S(=O)(=O)N(C)C
InChI
InChI=1S/C11H15ClN2O3S/c1-8-4-5-9(13-11(15)7-12)6-10(8)18(16,17)14(2)3/h4-6H,7H2,1-3H3,(H,13,15)
InChIKey
ZIIIFUAOQPEVPU-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.0492 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.05648 161.2
[M+Na]+ 313.03842 169.1
[M-H]- 289.04192 166.8
[M+NH4]+ 308.08302 178.4
[M+K]+ 329.01236 165.8
[M+H-H2O]+ 273.04646 155.7
[M+HCOO]- 335.04740 176.2
[M+CH3COO]- 349.06305 204.6
[M+Na-2H]- 311.02387 163.4
[M]+ 290.04865 167.4
[M]- 290.04975 167.4
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

patents stripe