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]+ 274.089616 160.9
[M+Na]+ 296.071558 168.6
[M-H]- 272.075064 166.8
[M+NH4]+ 291.116163 177.0
[M+K]+ 312.045498 163.6
[M+H-H2O]+ 256.079600 153.8
[M+HCOO]- 318.080541 178.8
[M+CH3COO]- 332.096191 197.4
[M+Na-2H]- 294.057006 162.4
[M]+ 273.08179142 162.5
[M]- 273.08288858 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