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 185.2
[M+Na]+ 379.12982 188.2
[M-H]- 355.13332 190.7
[M+NH4]+ 374.17442 198.8
[M+K]+ 395.10376 189.4
[M+H-H2O]+ 339.13786 176.5
[M+HCOO]- 401.13880 203.3
[M+CH3COO]- 415.15445 222.3
[M+Na-2H]- 377.11527 182.7
[M]+ 356.14005 194.6
[M]- 356.14115 194.6
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.