CID 3852344

N-(4-aminophenyl)-2-methyl-5-nitrobenzene-1-sulfonamide

Structural Information

Molecular Formula
C13H13N3O4S
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)N
InChI
InChI=1S/C13H13N3O4S/c1-9-2-7-12(16(17)18)8-13(9)21(19,20)15-11-5-3-10(14)4-6-11/h2-8,15H,14H2,1H3
InChIKey
POKPHEDBFKATIT-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.06268 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06996 163.3
[M+Na]+ 330.05190 169.6
[M-H]- 306.05540 169.9
[M+NH4]+ 325.09650 176.5
[M+K]+ 346.02584 160.9
[M+H-H2O]+ 290.05994 159.8
[M+HCOO]- 352.06088 184.0
[M+CH3COO]- 366.07653 199.4
[M+Na-2H]- 328.03735 170.0
[M]+ 307.06213 161.8
[M]- 307.06323 161.8
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.