CID 16770739

N-(4-amino-2-methylphenyl)-3-methanesulfonylbenzamide

Structural Information

Molecular Formula
C15H16N2O3S
SMILES
CC1=C(C=CC(=C1)N)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C
InChI
InChI=1S/C15H16N2O3S/c1-10-8-12(16)6-7-14(10)17-15(18)11-4-3-5-13(9-11)21(2,19)20/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
TVPJTRFAOUIXHT-UHFFFAOYSA-N
Compound name
N-(4-amino-2-methylphenyl)-3-methylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.08817 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.095446 168.2
[M+Na]+ 327.077388 175.9
[M-H]- 303.080894 175.0
[M+NH4]+ 322.121993 182.8
[M+K]+ 343.051328 171.2
[M+H-H2O]+ 287.085430 160.6
[M+HCOO]- 349.086371 186.8
[M+CH3COO]- 363.102021 206.2
[M+Na-2H]- 325.062836 170.6
[M]+ 304.08762142 169.4
[M]- 304.08871858 169.4
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

No patent data available for this compound.