CID 4207998

S-(2-hydroxyphenyl) n-(3,4-xylyl)thiocarbamate

Structural Information

Molecular Formula
C15H15NO2S
SMILES
CC1=C(C=C(C=C1)NC(=O)SC2=CC=CC=C2O)C
InChI
InChI=1S/C15H15NO2S/c1-10-7-8-12(9-11(10)2)16-15(18)19-14-6-4-3-5-13(14)17/h3-9,17H,1-2H3,(H,16,18)
InChIKey
ZPJNKIRARPMLJZ-UHFFFAOYSA-N
Compound name
S-(2-hydroxyphenyl) N-(3,4-dimethylphenyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.08234 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08962 161.6
[M+Na]+ 296.07156 174.9
[M+NH4]+ 291.11616 170.1
[M+K]+ 312.04550 165.9
[M-H]- 272.07506 166.3
[M+Na-2H]- 294.05701 169.5
[M]+ 273.08179 165.3
[M]- 273.08289 165.3
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

patents stripe