CID 135484933

2-hydroxy-5-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)14-13-7-8-6-9(16-2)4-5-10(8)15/h4-7,15H,3H2,1-2H3,(H2,12,14,17)/b13-7+
InChIKey
YSWOYAQZHSHQOG-NTUHNPAUSA-N
Compound name
1-ethyl-3-[(E)-(2-hydroxy-5-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]+ 254.095776 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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.