CID 3044229

Benzenesulfonamide, n-(4,5-dimethoxy-2-nitrophenyl)-

Structural Information

Molecular Formula
C14H14N2O6S
SMILES
COC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C14H14N2O6S/c1-21-13-8-11(12(16(17)18)9-14(13)22-2)15-23(19,20)10-6-4-3-5-7-10/h3-9,15H,1-2H3
InChIKey
VIKIVQKDQWXPDT-UHFFFAOYSA-N
Compound name
N-(4,5-dimethoxy-2-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.05725 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06453 171.6
[M+Na]+ 361.04647 177.8
[M-H]- 337.04997 178.7
[M+NH4]+ 356.09107 183.9
[M+K]+ 377.02041 170.7
[M+H-H2O]+ 321.05451 167.8
[M+HCOO]- 383.05545 192.0
[M+CH3COO]- 397.07110 202.4
[M+Na-2H]- 359.03192 178.7
[M]+ 338.05670 174.8
[M]- 338.05780 174.8
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.