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 160.9
[M+Na]+ 296.07156 168.6
[M-H]- 272.07506 166.8
[M+NH4]+ 291.11616 177.0
[M+K]+ 312.04550 163.6
[M+H-H2O]+ 256.07960 153.8
[M+HCOO]- 318.08054 178.8
[M+CH3COO]- 332.09619 197.4
[M+Na-2H]- 294.05701 162.4
[M]+ 273.08179 162.5
[M]- 273.08289 162.5
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