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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09578 155.7
[M+Na]+ 276.07772 161.7
[M-H]- 252.08122 159.3
[M+NH4]+ 271.12232 172.5
[M+K]+ 292.05166 158.1
[M+H-H2O]+ 236.08576 148.2
[M+HCOO]- 298.08670 176.7
[M+CH3COO]- 312.10235 199.7
[M+Na-2H]- 274.06317 158.4
[M]+ 253.08795 157.3
[M]- 253.08905 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.