CID 909362

Acetone, 4-phenyl-3-thiosemicarbazone

Structural Information

Molecular Formula
C10H13N3S
SMILES
CC(=NNC(=S)NC1=CC=CC=C1)C
InChI
InChI=1S/C10H13N3S/c1-8(2)12-13-10(14)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,11,13,14)
InChIKey
AYODCYOTZCCVLO-UHFFFAOYSA-N
Compound name
1-phenyl-3-(propan-2-ylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

207.08302 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09030 145.7
[M+Na]+ 230.07224 150.9
[M-H]- 206.07574 150.5
[M+NH4]+ 225.11684 164.7
[M+K]+ 246.04618 148.0
[M+H-H2O]+ 190.08028 138.4
[M+HCOO]- 252.08122 167.2
[M+CH3COO]- 266.09687 193.4
[M+Na-2H]- 228.05769 149.4
[M]+ 207.08247 144.7
[M]- 207.08357 144.7
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.