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 167.0
[M+Na]+ 324.07772 170.9
[M-H]- 300.08122 173.0
[M+NH4]+ 319.12232 180.9
[M+K]+ 340.05166 166.4
[M+H-H2O]+ 284.08576 158.3
[M+HCOO]- 346.08670 187.6
[M+CH3COO]- 360.10235 205.3
[M+Na-2H]- 322.06317 171.3
[M]+ 301.08795 166.3
[M]- 301.08905 166.3
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.