CID 3040430

Brn 2291171

Structural Information

Molecular Formula
C12H15NO4S
SMILES
CCOC(=O)CSC1=CC=CC=C1OC(=O)NC
InChI
InChI=1S/C12H15NO4S/c1-3-16-11(14)8-18-10-7-5-4-6-9(10)17-12(15)13-2/h4-7H,3,8H2,1-2H3,(H,13,15)
InChIKey
QIFVPJNHMSUEGM-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(methylcarbamoyloxy)phenyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.07217 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 160.0
[M+Na]+ 292.06139 165.9
[M-H]- 268.06489 163.4
[M+NH4]+ 287.10599 176.5
[M+K]+ 308.03533 163.9
[M+H-H2O]+ 252.06943 152.9
[M+HCOO]- 314.07037 178.4
[M+CH3COO]- 328.08602 196.3
[M+Na-2H]- 290.04684 161.0
[M]+ 269.07162 165.5
[M]- 269.07272 165.5
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.