CID 720905

2-(phenoxyacetyl)-n-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula
C15H15N3O2S
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)COC2=CC=CC=C2
InChI
InChI=1S/C15H15N3O2S/c19-14(11-20-13-9-5-2-6-10-13)17-18-15(21)16-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,19)(H2,16,18,21)
InChIKey
KKCLLGSGXWTWDV-UHFFFAOYSA-N
Compound name
1-[(2-phenoxyacetyl)amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0885 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09578 167.6
[M+Na]+ 324.07772 177.3
[M+NH4]+ 319.12232 174.9
[M+K]+ 340.05166 169.1
[M-H]- 300.08122 172.5
[M+Na-2H]- 322.06317 175.8
[M]+ 301.08795 170.5
[M]- 301.08905 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.