CID 135613328

3-ethoxy-4-hydroxybenzaldehyde n-(4-methoxyphenyl)thiosemicarbazone

Structural Information

Molecular Formula
C17H19N3O3S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=S)NC2=CC=C(C=C2)OC)O
InChI
InChI=1S/C17H19N3O3S/c1-3-23-16-10-12(4-9-15(16)21)11-18-20-17(24)19-13-5-7-14(22-2)8-6-13/h4-11,21H,3H2,1-2H3,(H2,19,20,24)/b18-11+
InChIKey
IBAYUWQIQGOLBX-WOJGMQOQSA-N
Compound name
1-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.11472 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12200 179.2
[M+Na]+ 368.10394 184.6
[M-H]- 344.10744 185.7
[M+NH4]+ 363.14854 192.0
[M+K]+ 384.07788 179.9
[M+H-H2O]+ 328.11198 170.1
[M+HCOO]- 390.11292 200.1
[M+CH3COO]- 404.12857 216.9
[M+Na-2H]- 366.08939 181.5
[M]+ 345.11417 182.3
[M]- 345.11527 182.3
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.