CID 39716

Carbamic acid, methyl(phenylthio)-, m-isopropylphenyl ester

Structural Information

Molecular Formula
C17H19NO2S
SMILES
CC(C)C1=CC(=CC=C1)OC(=O)N(C)SC2=CC=CC=C2
InChI
InChI=1S/C17H19NO2S/c1-13(2)14-8-7-9-15(12-14)20-17(19)18(3)21-16-10-5-4-6-11-16/h4-13H,1-3H3
InChIKey
MMMGLWYZFBHLJZ-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-methyl-N-phenylsulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11365 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12093 170.8
[M+Na]+ 324.10287 176.1
[M-H]- 300.10637 178.5
[M+NH4]+ 319.14747 186.4
[M+K]+ 340.07681 173.4
[M+H-H2O]+ 284.11091 162.5
[M+HCOO]- 346.11185 189.0
[M+CH3COO]- 360.12750 207.7
[M+Na-2H]- 322.08832 171.2
[M]+ 301.11310 174.8
[M]- 301.11420 174.8
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.