CID 135428914

N'-hophctpcnn

Structural Information

Molecular Formula
C13H11N3O2S
SMILES
C1=CC=C(C(=C1)C(=S)NNC(=O)C2=CC=CC=N2)O
InChI
InChI=1S/C13H11N3O2S/c17-11-7-2-1-5-9(11)13(19)16-15-12(18)10-6-3-4-8-14-10/h1-8,17H,(H,15,18)(H,16,19)
InChIKey
DZRCUOZLXHEUAK-UHFFFAOYSA-N
Compound name
N'-(2-hydroxybenzenecarbothioyl)pyridine-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.0572 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06448 159.3
[M+Na]+ 296.04642 165.4
[M-H]- 272.04992 163.4
[M+NH4]+ 291.09102 173.0
[M+K]+ 312.02036 160.3
[M+H-H2O]+ 256.05446 151.2
[M+HCOO]- 318.05540 176.9
[M+CH3COO]- 332.07105 196.3
[M+Na-2H]- 294.03187 162.9
[M]+ 273.05665 157.8
[M]- 273.05775 157.8
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

No patent data available for this compound.