CID 135472553

N'-(2-hydroxybenzylidene)-2-thiophenecarbohydrazide

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂S

SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CS2)O

InChI

InChI=1S/C12H10N2O2S/c15-10-5-2-1-4-9(10)8-13-14-12(16)11-6-3-7-17-11/h1-8,15H,(H,14,16)/b13-8+

InChIKey

PXDXCRHRUMIWQS-MDWZMJQESA-N

Compound name

N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 246.0463 Da
Monoisotopic Mass: 2.5
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]+	247.053576	153.2
[M+Na]+	269.035518	160.5
[M-H]-	245.039024	160.5
[M+NH4]+	264.080123	172.1
[M+K]+	285.009458	156.5
[M+H-H2O]+	229.043560	146.1
[M+HCOO]-	291.044501	175.7
[M+CH3COO]-	305.060151	192.5
[M+Na-2H]-	267.020966	156.1
[M]+	246.04575142	154.3
[M]-	246.04684858	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe