CID 3040434

Brn 2286323

Structural Information

Molecular Formula
C11H14N2O3S
SMILES
CC(C(=O)N)SC1=CC=CC=C1OC(=O)NC
InChI
InChI=1S/C11H14N2O3S/c1-7(10(12)14)17-9-6-4-3-5-8(9)16-11(15)13-2/h3-7H,1-2H3,(H2,12,14)(H,13,15)
InChIKey
BARDFKIYVHMCMS-UHFFFAOYSA-N
Compound name
[2-(1-amino-1-oxopropan-2-yl)sulfanylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.07251 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.079786 156.8
[M+Na]+ 277.061728 161.9
[M-H]- 253.065234 159.7
[M+NH4]+ 272.106333 173.1
[M+K]+ 293.035668 159.8
[M+H-H2O]+ 237.069770 149.6
[M+HCOO]- 299.070711 174.5
[M+CH3COO]- 313.086361 197.3
[M+Na-2H]- 275.047176 156.5
[M]+ 254.07196142 158.1
[M]- 254.07305858 158.1
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.