CID 466856

Chembl425852

Structural Information

Molecular Formula
C14H12N2O3S
SMILES
C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2S)O
InChI
InChI=1S/C14H12N2O3S/c17-11-7-3-1-5-9(11)13(18)15-16-14(19)10-6-2-4-8-12(10)20/h1-8,17,20H,(H,15,18)(H,16,19)
InChIKey
GMKXQIDJHZSYRQ-UHFFFAOYSA-N
Compound name
2-hydroxy-N'-(2-sulfanylbenzoyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.05685 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06413 163.3
[M+Na]+ 311.04607 169.5
[M-H]- 287.04957 168.9
[M+NH4]+ 306.09067 177.8
[M+K]+ 327.02001 165.1
[M+H-H2O]+ 271.05411 155.6
[M+HCOO]- 333.05505 181.9
[M+CH3COO]- 347.07070 200.0
[M+Na-2H]- 309.03152 165.6
[M]+ 288.05630 163.4
[M]- 288.05740 163.4
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.