CID 3000580

N-cyclohexyl-2-(2-hydroxyanilino)-2-thioxo-acetamide

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
C1CCC(CC1)NC(=O)C(=S)NC2=CC=CC=C2O
InChI
InChI=1S/C14H18N2O2S/c17-12-9-5-4-8-11(12)16-14(19)13(18)15-10-6-2-1-3-7-10/h4-5,8-10,17H,1-3,6-7H2,(H,15,18)(H,16,19)
InChIKey
UHQTTZVUDJYZHP-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-(2-hydroxyanilino)-2-sulfanylideneacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1089 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 162.7
[M+Na]+ 301.09812 165.2
[M-H]- 277.10162 166.7
[M+NH4]+ 296.14272 177.3
[M+K]+ 317.07206 160.8
[M+H-H2O]+ 261.10616 155.3
[M+HCOO]- 323.10710 176.8
[M+CH3COO]- 337.12275 197.7
[M+Na-2H]- 299.08357 162.9
[M]+ 278.10835 156.9
[M]- 278.10945 156.9
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.