CID 135717387

2-hydroxy-3-methoxybenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₂S

SMILES

CCNC(=S)N/N=C/C1=C(C(=CC=C1)OC)O

InChI

InChI=1S/C11H15N3O2S/c1-3-12-11(17)14-13-7-8-5-4-6-9(16-2)10(8)15/h4-7,15H,3H2,1-2H3,(H2,12,14,17)/b13-7+

InChIKey

AGJXYFWCUVRCHU-NTUHNPAUSA-N

Compound name

1-ethyl-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.0885 Da
Monoisotopic Mass: 1.6
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]+	254.095776	155.7
[M+Na]+	276.077718	161.7
[M-H]-	252.081224	159.3
[M+NH4]+	271.122323	172.5
[M+K]+	292.051658	158.1
[M+H-H2O]+	236.085760	148.2
[M+HCOO]-	298.086701	176.7
[M+CH3COO]-	312.102351	199.7
[M+Na-2H]-	274.063166	158.4
[M]+	253.08795142	157.3
[M]-	253.08904858	157.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.