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]+ 240.08013 152.1
[M+Na]+ 262.06207 156.6
[M-H]- 238.06557 155.3
[M+NH4]+ 257.10667 168.9
[M+K]+ 278.03601 153.8
[M+H-H2O]+ 222.07011 144.5
[M+HCOO]- 284.07105 172.5
[M+CH3COO]- 298.08670 194.5
[M+Na-2H]- 260.04752 155.5
[M]+ 239.07230 151.9
[M]- 239.07340 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.