CID 367783

Mls001164435

Structural Information

Molecular Formula
C16H12N2O4S
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-14-9-15(19)16(20)13-4-2-1-3-12(13)14/h1-9,18H,(H2,17,21,22)
InChIKey
DIHFBNUDSJVTRQ-UHFFFAOYSA-N
Compound name
4-[(3,4-dioxonaphthalen-1-yl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

328.0518 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05908 170.7
[M+Na]+ 351.04102 179.4
[M-H]- 327.04452 178.1
[M+NH4]+ 346.08562 185.0
[M+K]+ 367.01496 174.0
[M+H-H2O]+ 311.04906 163.1
[M+HCOO]- 373.05000 188.7
[M+CH3COO]- 387.06565 210.0
[M+Na-2H]- 349.02647 176.2
[M]+ 328.05125 171.7
[M]- 328.05235 171.7
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

No patent data available for this compound.