CID 393336

Nsc695044

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₃S

SMILES

C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CS2)O

InChI

InChI=1S/C12H10N2O3S/c15-9-5-2-1-4-8(9)11(16)13-14-12(17)10-6-3-7-18-10/h1-7,15H,(H,13,16)(H,14,17)

InChIKey

HERHFFPVTWTXIP-UHFFFAOYSA-N

Compound name

N'-(2-hydroxybenzoyl)thiophene-2-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 262.0412 Da
Monoisotopic Mass: 2.6
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]+	263.048476	157.1
[M+Na]+	285.030418	163.4
[M-H]-	261.033924	163.0
[M+NH4]+	280.075023	174.4
[M+K]+	301.004358	159.7
[M+H-H2O]+	245.038460	150.2
[M+HCOO]-	307.039401	177.2
[M+CH3COO]-	321.055051	192.6
[M+Na-2H]-	283.015866	158.7
[M]+	262.04065142	157.1
[M]-	262.04174858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe