CID 117494

Brn 3067943

Structural Information

Molecular Formula
C17H26N2O4S
SMILES
CCCCSC1=CC=C(C=C1)C(CC)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C17H26N2O4S/c1-3-5-10-24-14-8-6-13(7-9-14)17(4-2,11-22-15(18)20)12-23-16(19)21/h6-9H,3-5,10-12H2,1-2H3,(H2,18,20)(H2,19,21)
InChIKey
BUHTVBNGCWQMMA-UHFFFAOYSA-N
Compound name
[2-(4-butylsulfanylphenyl)-2-(carbamoyloxymethyl)butyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.16132 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16860 185.4
[M+Na]+ 377.15054 191.2
[M+NH4]+ 372.19514 189.7
[M+K]+ 393.12448 185.7
[M-H]- 353.15404 185.0
[M+Na-2H]- 375.13599 186.9
[M]+ 354.16077 186.1
[M]- 354.16187 186.1
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.