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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.064476	159.3
[M+Na]+	296.046418	165.4
[M-H]-	272.049924	163.4
[M+NH4]+	291.091023	173.0
[M+K]+	312.020358	160.3
[M+H-H2O]+	256.054460	151.2
[M+HCOO]-	318.055401	176.9
[M+CH3COO]-	332.071051	196.3
[M+Na-2H]-	294.031866	162.9
[M]+	273.05665142	157.8
[M]-	273.05774858	157.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.