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

0
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 146.9
[M+Na]+ 268.03625 156.7
[M+NH4]+ 263.08085 153.3
[M+K]+ 284.01019 153.9
[M-H]- 244.03975 149.2
[M+Na-2H]- 266.02170 151.8
[M]+ 245.04648 149.0
[M]- 245.04758 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.