CID 3050188

Brn 2174283

Structural Information

Molecular Formula
C16H24N2O4S
SMILES
CC(C)C1=CC(=CC=C1)OC(=O)N(C)SN(C)C(=O)OC(C)C
InChI
InChI=1S/C16H24N2O4S/c1-11(2)13-8-7-9-14(10-13)22-16(20)18(6)23-17(5)15(19)21-12(3)4/h7-12H,1-6H3
InChIKey
XLIXVFFLVIBZMG-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-methyl-N-[methyl(propan-2-yloxycarbonyl)amino]sulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1457 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15298 179.4
[M+Na]+ 363.13492 186.1
[M+NH4]+ 358.17952 184.7
[M+K]+ 379.10886 181.8
[M-H]- 339.13842 180.3
[M+Na-2H]- 361.12037 182.2
[M]+ 340.14515 180.6
[M]- 340.14625 180.6
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.