CID 3059815

2-isopropylphenyl (methyl)(t-butylthiosulfinyl)carbamate

Structural Information

Molecular Formula
C15H23NO3S2
SMILES
CC(C)C1=CC(=CC=C1)OC(=O)N(C)S(=O)SC(C)(C)C
InChI
InChI=1S/C15H23NO3S2/c1-11(2)12-8-7-9-13(10-12)19-14(17)16(6)21(18)20-15(3,4)5/h7-11H,1-6H3
InChIKey
CJDJXAMFMCVDIN-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-tert-butylsulfanylsulfinyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11194 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11922 175.3
[M+Na]+ 352.10116 179.7
[M-H]- 328.10466 179.3
[M+NH4]+ 347.14576 190.1
[M+K]+ 368.07510 177.3
[M+H-H2O]+ 312.10920 168.1
[M+HCOO]- 374.11014 184.4
[M+CH3COO]- 388.12579 212.1
[M+Na-2H]- 350.08661 172.9
[M]+ 329.11139 181.3
[M]- 329.11249 181.3
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

No patent data available for this compound.