CID 4323394

N-methyl-2-(phenoxyacetyl)hydrazinecarbothioamide

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
CNC(=S)NNC(=O)COC1=CC=CC=C1
InChI
InChI=1S/C10H13N3O2S/c1-11-10(16)13-12-9(14)7-15-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14)(H2,11,13,16)
InChIKey
WXCSXVTVHBWIKP-UHFFFAOYSA-N
Compound name
1-methyl-3-[(2-phenoxyacetyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07285 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.080126 152.1
[M+Na]+ 262.062068 156.6
[M-H]- 238.065574 155.3
[M+NH4]+ 257.106673 168.9
[M+K]+ 278.036008 153.8
[M+H-H2O]+ 222.070110 144.5
[M+HCOO]- 284.071051 172.5
[M+CH3COO]- 298.086701 194.5
[M+Na-2H]- 260.047516 155.5
[M]+ 239.07230142 151.9
[M]- 239.07339858 151.9
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.