CID 7575261

2,4,5-trimethoxybenzaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C17H19N3O3S
SMILES
COC1=CC(=C(C=C1/C=N/NC(=S)NC2=CC=CC=C2)OC)OC
InChI
InChI=1S/C17H19N3O3S/c1-21-14-10-16(23-3)15(22-2)9-12(14)11-18-20-17(24)19-13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,19,20,24)/b18-11+
InChIKey
FUYKCLPJJPJJTN-WOJGMQOQSA-N
Compound name
1-phenyl-3-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]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 180.7
[M+Na]+ 368.10394 191.4
[M+NH4]+ 363.14854 187.4
[M+K]+ 384.07788 182.6
[M-H]- 344.10744 185.8
[M+Na-2H]- 366.08939 188.0
[M]+ 345.11417 183.9
[M]- 345.11527 183.9
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.