CID 515186

1-phenoxathiin-2-ylethyl n-methylcarbamate

Structural Information

Molecular Formula
C16H15NO3S
SMILES
CC(C1=CC2=C(C=C1)OC3=CC=CC=C3S2)OC(=O)NC
InChI
InChI=1S/C16H15NO3S/c1-10(19-16(18)17-2)11-7-8-13-15(9-11)21-14-6-4-3-5-12(14)20-13/h3-10H,1-2H3,(H,17,18)
InChIKey
DNNRBECKMQXEAF-UHFFFAOYSA-N
Compound name
1-phenoxathiin-2-ylethyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.07727 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08455 164.6
[M+Na]+ 324.06649 171.4
[M-H]- 300.06999 170.3
[M+NH4]+ 319.11109 180.6
[M+K]+ 340.04043 169.1
[M+H-H2O]+ 284.07453 157.7
[M+HCOO]- 346.07547 178.9
[M+CH3COO]- 360.09112 175.8
[M+Na-2H]- 322.05194 170.1
[M]+ 301.07672 168.3
[M]- 301.07782 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.