CID 135516795

186453-52-1

Structural Information

Molecular Formula
C17H19N3O2S
SMILES
CCOC1=CC=C(C=C1)CNC(=S)N/N=C/C2=CC=CC=C2O
InChI
InChI=1S/C17H19N3O2S/c1-2-22-15-9-7-13(8-10-15)11-18-17(23)20-19-12-14-5-3-4-6-16(14)21/h3-10,12,21H,2,11H2,1H3,(H2,18,20,23)/b19-12+
InChIKey
JPCHFHINFPSMKC-XDHOZWIPSA-N
Compound name
1-[(4-ethoxyphenyl)methyl]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1198 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12708 175.6
[M+Na]+ 352.10902 180.5
[M-H]- 328.11252 181.8
[M+NH4]+ 347.15362 188.9
[M+K]+ 368.08296 175.0
[M+H-H2O]+ 312.11706 166.7
[M+HCOO]- 374.11800 196.4
[M+CH3COO]- 388.13365 213.4
[M+Na-2H]- 350.09447 178.5
[M]+ 329.11925 177.0
[M]- 329.12035 177.0
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.