CID 3050183

Brn 2177969

Structural Information

Molecular Formula
C16H24N2O5S
SMILES
CCN(C(=O)OCC)SN(C)C(=O)OC1=CC=CC=C1OC(C)C
InChI
InChI=1S/C16H24N2O5S/c1-6-18(16(20)21-7-2)24-17(5)15(19)23-14-11-9-8-10-13(14)22-12(3)4/h8-12H,6-7H2,1-5H3
InChIKey
OULZWFQCICZRJA-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-[ethoxycarbonyl(ethyl)amino]sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1406 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14788 182.5
[M+Na]+ 379.12982 189.1
[M+NH4]+ 374.17442 187.4
[M+K]+ 395.10376 184.5
[M-H]- 355.13332 183.1
[M+Na-2H]- 377.11527 185.2
[M]+ 356.14005 183.6
[M]- 356.14115 183.6
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.