CID 4558331

N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide

Structural Information

Molecular Formula
C8H11N3O4S
SMILES
CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-]
InChI
InChI=1S/C8H11N3O4S/c1-9-7-4-3-6(16(14,15)10-2)5-8(7)11(12)13/h3-5,9-10H,1-2H3
InChIKey
RZJVXIKQMVCDHG-UHFFFAOYSA-N
Compound name
N-methyl-4-(methylamino)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

245.04703 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05431 146.0
[M+Na]+ 268.03625 152.6
[M-H]- 244.03975 150.0
[M+NH4]+ 263.08085 162.2
[M+K]+ 284.01019 145.7
[M+H-H2O]+ 228.04429 143.9
[M+HCOO]- 290.04523 167.4
[M+CH3COO]- 304.06088 187.8
[M+Na-2H]- 266.02170 153.8
[M]+ 245.04648 145.7
[M]- 245.04758 145.7
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.