CID 106345

68003-33-8

Structural Information

Molecular Formula
C17H15NO6S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)O)N
InChI
InChI=1S/C17H15NO6S2/c1-11-2-5-14(6-3-11)26(22,23)24-17-10-15(25(19,20)21)9-12-8-13(18)4-7-16(12)17/h2-10H,18H2,1H3,(H,19,20,21)
InChIKey
LPDSDGMZMLAGJR-UHFFFAOYSA-N
Compound name
7-amino-4-(4-methylphenyl)sulfonyloxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

393.0341 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.04138 185.5
[M+Na]+ 416.02332 196.9
[M+NH4]+ 411.06792 191.2
[M+K]+ 431.99726 189.1
[M-H]- 392.02682 187.4
[M+Na-2H]- 414.00877 191.5
[M]+ 393.03355 188.6
[M]- 393.03465 188.6
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

patents stripe