CID 822744

N-[4-(4-toluidinosulfonyl)phenyl]acetamide

Structural Information

Molecular Formula
C15H16N2O3S
SMILES
CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C15H16N2O3S/c1-11-3-5-14(6-4-11)17-21(19,20)15-9-7-13(8-10-15)16-12(2)18/h3-10,17H,1-2H3,(H,16,18)
InChIKey
QDIIFQYRCJCOKH-UHFFFAOYSA-N
Compound name
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

304.08817 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09545 167.8
[M+Na]+ 327.07739 174.7
[M-H]- 303.08089 174.7
[M+NH4]+ 322.12199 182.4
[M+K]+ 343.05133 170.3
[M+H-H2O]+ 287.08543 160.0
[M+HCOO]- 349.08637 187.1
[M+CH3COO]- 363.10202 205.5
[M+Na-2H]- 325.06284 171.9
[M]+ 304.08762 169.6
[M]- 304.08872 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe