CID 15606418

Dtxsid401350199

Structural Information

Molecular Formula
C14H12N2O5S
SMILES
C1=CC=C(C=C1)/C=N/NC2=C(C=CC(=C2)S(=O)(=O)O)C(=O)O
InChI
InChI=1S/C14H12N2O5S/c17-14(18)12-7-6-11(22(19,20)21)8-13(12)16-15-9-10-4-2-1-3-5-10/h1-9,16H,(H,17,18)(H,19,20,21)/b15-9+
InChIKey
ZYSWJCSNTWMKKW-OQLLNIDSSA-N
Compound name
2-[(2E)-2-benzylidenehydrazinyl]-4-sulfobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.0467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05398 168.5
[M+Na]+ 343.03592 175.0
[M-H]- 319.03942 174.0
[M+NH4]+ 338.08052 181.3
[M+K]+ 359.00986 170.7
[M+H-H2O]+ 303.04396 160.7
[M+HCOO]- 365.04490 187.2
[M+CH3COO]- 379.06055 203.9
[M+Na-2H]- 341.02137 173.2
[M]+ 320.04615 170.1
[M]- 320.04725 170.1
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