CID 2760348

4-(4-phenoxyphenyl)-3-thiosemicarbazide

Structural Information

Molecular Formula
C13H13N3OS
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NN
InChI
InChI=1S/C13H13N3OS/c14-16-13(18)15-10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H,14H2,(H2,15,16,18)
InChIKey
KIHDOYIABVFNJO-UHFFFAOYSA-N
Compound name
1-amino-3-(4-phenoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.07794 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08522 156.2
[M+Na]+ 282.06716 167.1
[M+NH4]+ 277.11176 164.6
[M+K]+ 298.04110 158.6
[M-H]- 258.07066 162.0
[M+Na-2H]- 280.05261 165.0
[M]+ 259.07739 159.6
[M]- 259.07849 159.6
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.