CID 397256

N,n'-bis(2-mercaptobenzoyl)hydrazide

Structural Information

Molecular Formula
C14H12N2O2S2
SMILES
C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2S)S
InChI
InChI=1S/C14H12N2O2S2/c17-13(9-5-1-3-7-11(9)19)15-16-14(18)10-6-2-4-8-12(10)20/h1-8,19-20H,(H,15,17)(H,16,18)
InChIKey
BCDWFVITTFIUNV-UHFFFAOYSA-N
Compound name
2-sulfanyl-N'-(2-sulfanylbenzoyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

304.03403 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04131 165.5
[M+Na]+ 327.02325 172.2
[M-H]- 303.02675 171.8
[M+NH4]+ 322.06785 180.3
[M+K]+ 342.99719 166.2
[M+H-H2O]+ 287.03129 157.8
[M+HCOO]- 349.03223 179.4
[M+CH3COO]- 363.04788 204.5
[M+Na-2H]- 325.00870 166.8
[M]+ 304.03348 166.8
[M]- 304.03458 166.8
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

No patent data available for this compound.