CID 81296

Hooker hrs-1630

Structural Information

Molecular Formula
C13H19NO2S2
SMILES
CCSC(C1=CC=CC=C1OC(=O)NC)SCC
InChI
InChI=1S/C13H19NO2S2/c1-4-17-12(18-5-2)10-8-6-7-9-11(10)16-13(15)14-3/h6-9,12H,4-5H2,1-3H3,(H,14,15)
InChIKey
GAAGFBCYBSDRSY-UHFFFAOYSA-N
Compound name
[2-[bis(ethylsulfanyl)methyl]phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.08572 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09300 163.1
[M+Na]+ 308.07494 172.2
[M+NH4]+ 303.11954 170.9
[M+K]+ 324.04888 162.8
[M-H]- 284.07844 165.2
[M+Na-2H]- 306.06039 167.0
[M]+ 285.08517 165.8
[M]- 285.08627 165.8
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.