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]+ 305.09545 168.2
[M+Na]+ 327.07739 175.9
[M-H]- 303.08089 175.0
[M+NH4]+ 322.12199 182.8
[M+K]+ 343.05133 171.2
[M+H-H2O]+ 287.08543 160.6
[M+HCOO]- 349.08637 186.8
[M+CH3COO]- 363.10202 206.2
[M+Na-2H]- 325.06284 170.6
[M]+ 304.08762 169.4
[M]- 304.08872 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.