CID 67242

132-87-6

Structural Information

Molecular Formula
C17H13NO5S
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O
InChI
InChI=1S/C17H13NO5S/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11/h1-10,19H,(H,18,20)(H,21,22,23)
InChIKey
ZLHGMJOGMLVDFS-UHFFFAOYSA-N
Compound name
7-benzamido-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

347
Patents

343.05145 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05873 174.0
[M+Na]+ 366.04067 186.3
[M+NH4]+ 361.08527 180.4
[M+K]+ 382.01461 179.4
[M-H]- 342.04417 176.6
[M+Na-2H]- 364.02612 181.0
[M]+ 343.05090 176.8
[M]- 343.05200 176.8
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

patents stripe