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 182.0
[M+Na]+ 363.13492 185.0
[M-H]- 339.13842 187.7
[M+NH4]+ 358.17952 196.4
[M+K]+ 379.10886 186.2
[M+H-H2O]+ 323.14296 173.8
[M+HCOO]- 385.14390 198.9
[M+CH3COO]- 399.15955 221.2
[M+Na-2H]- 361.12037 178.3
[M]+ 340.14515 189.5
[M]- 340.14625 189.5
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

No patent data available for this compound.