CID 5017988

327093-07-2

Structural Information

Molecular Formula
C13H14N4O5S
SMILES
COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NN)[N+](=O)[O-]
InChI
InChI=1S/C13H14N4O5S/c1-22-10-4-2-9(3-5-10)16-23(20,21)11-6-7-12(15-14)13(8-11)17(18)19/h2-8,15-16H,14H2,1H3
InChIKey
SRHHOMFTKOAWSD-UHFFFAOYSA-N
Compound name
4-hydrazinyl-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.06848 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07576 167.6
[M+Na]+ 361.05770 172.5
[M-H]- 337.06120 173.8
[M+NH4]+ 356.10230 178.8
[M+K]+ 377.03164 164.4
[M+H-H2O]+ 321.06574 163.3
[M+HCOO]- 383.06668 189.3
[M+CH3COO]- 397.08233 206.8
[M+Na-2H]- 359.04315 175.6
[M]+ 338.06793 166.5
[M]- 338.06903 166.5
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.