CID 7728672

3-hydroxybenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C10H13N3OS
SMILES
CCNC(=S)N/N=C/C1=CC(=CC=C1)O
InChI
InChI=1S/C10H13N3OS/c1-2-11-10(15)13-12-7-8-4-3-5-9(14)6-8/h3-7,14H,2H2,1H3,(H2,11,13,15)/b12-7+
InChIKey
KTQHWEQUUDFRLA-KPKJPENVSA-N
Compound name
1-ethyl-3-[(E)-(3-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07793 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08521 148.1
[M+Na]+ 246.06715 153.8
[M-H]- 222.07065 151.6
[M+NH4]+ 241.11175 165.9
[M+K]+ 262.04109 150.0
[M+H-H2O]+ 206.07519 140.9
[M+HCOO]- 268.07613 169.3
[M+CH3COO]- 282.09178 193.3
[M+Na-2H]- 244.05260 151.8
[M]+ 223.07738 147.5
[M]- 223.07848 147.5
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.