CID 3040431

Brn 2293997

Structural Information

Molecular Formula
C13H17NO4S
SMILES
CCOC(=O)C(C)SC1=CC=CC=C1OC(=O)NC
InChI
InChI=1S/C13H17NO4S/c1-4-17-12(15)9(2)19-11-8-6-5-7-10(11)18-13(16)14-3/h5-9H,4H2,1-3H3,(H,14,16)
InChIKey
MRKIFVVLDPSDPA-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(methylcarbamoyloxy)phenyl]sulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 164.4
[M+Na]+ 306.07705 173.0
[M+NH4]+ 301.12165 170.4
[M+K]+ 322.05099 167.0
[M-H]- 282.08055 164.8
[M+Na-2H]- 304.06250 167.7
[M]+ 283.08728 165.8
[M]- 283.08838 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.