CID 710919

3-methyl-4-nitro-n-(4-sulfamoylphenyl)benzamide

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₅S

SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c1-9-8-10(2-7-13(9)17(19)20)14(18)16-11-3-5-12(6-4-11)23(15,21)22/h2-8H,1H3,(H,16,18)(H2,15,21,22)

InChIKey

HYCREYWRGVUPFU-UHFFFAOYSA-N

Compound name

3-methyl-4-nitro-N-(4-sulfamoylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.0576 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	336.064876	170.1
[M+Na]+	358.046818	175.6
[M-H]-	334.050324	176.5
[M+NH4]+	353.091423	181.8
[M+K]+	374.020758	167.4
[M+H-H2O]+	318.054860	166.4
[M+HCOO]-	380.055801	189.7
[M+CH3COO]-	394.071451	203.8
[M+Na-2H]-	356.032266	175.7
[M]+	335.05705142	168.8
[M]-	335.05814858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.