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 146.0
[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

literature stripe

Patent stripe

patents stripe