CID 5767776

1-(4-methoxybenzylidene)-4-phenyl-3-thiosemicarbazide

Structural Information

Molecular Formula
C15H15N3OS
SMILES
COC1=CC=C(C=C1)/C=N\NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C15H15N3OS/c1-19-14-9-7-12(8-10-14)11-16-18-15(20)17-13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,18,20)/b16-11-
InChIKey
XUZHCCAAZQQUBN-WJDWOHSUSA-N
Compound name
1-[(Z)-(4-methoxyphenyl)methylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0936 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10088 164.8
[M+Na]+ 308.08282 176.3
[M+NH4]+ 303.12742 173.1
[M+K]+ 324.05676 166.5
[M-H]- 284.08632 171.0
[M+Na-2H]- 306.06827 174.1
[M]+ 285.09305 168.5
[M]- 285.09415 168.5
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.