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

literature stripe

Patent stripe

patents stripe