CID 135411362

(e)-n'-(3-allyl-2-hydroxybenzylidene)thiophene-2-carbohydrazide

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂S

SMILES

C=CCC1=C(C(=CC=C1)/C=N/NC(=O)C2=CC=CS2)O

InChI

InChI=1S/C15H14N2O2S/c1-2-5-11-6-3-7-12(14(11)18)10-16-17-15(19)13-8-4-9-20-13/h2-4,6-10,18H,1,5H2,(H,17,19)/b16-10+

InChIKey

CPQLPKASEWSXCN-MHWRWJLKSA-N

Compound name

N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 286.0776 Da
Monoisotopic Mass: 3.6
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]+	287.084876	165.9
[M+Na]+	309.066818	173.0
[M-H]-	285.070324	173.0
[M+NH4]+	304.111423	183.3
[M+K]+	325.040758	167.7
[M+H-H2O]+	269.074860	158.6
[M+HCOO]-	331.075801	187.5
[M+CH3COO]-	345.091451	201.9
[M+Na-2H]-	307.052266	166.6
[M]+	286.07705142	167.8
[M]-	286.07814858	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe