CID 354529

Nsc606533

Structural Information

Molecular Formula
C14H15NO6S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC
InChI
InChI=1S/C14H15NO6S2/c1-10-3-5-11(6-4-10)22(16,17)15-13-9-12(23(18,19)20)7-8-14(13)21-2/h3-9,15H,1-2H3,(H,18,19,20)
InChIKey
CYGVARYBUUUCKV-UHFFFAOYSA-N
Compound name
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.0341 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.04138 177.7
[M+Na]+ 380.02332 185.4
[M-H]- 356.02682 182.8
[M+NH4]+ 375.06792 189.5
[M+K]+ 395.99726 180.1
[M+H-H2O]+ 340.03136 170.4
[M+HCOO]- 402.03230 189.3
[M+CH3COO]- 416.04795 206.9
[M+Na-2H]- 378.00877 182.2
[M]+ 357.03355 182.5
[M]- 357.03465 182.5
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.