CID 3059817

1-naphthalenyl methyl((phenylthio)sulfinyl)carbamate

Structural Information

Molecular Formula
C18H15NO3S2
SMILES
CN(C(=O)OC1=CC=CC2=CC=CC=C21)S(=O)SC3=CC=CC=C3
InChI
InChI=1S/C18H15NO3S2/c1-19(24(21)23-15-10-3-2-4-11-15)18(20)22-17-13-7-9-14-8-5-6-12-16(14)17/h2-13H,1H3
InChIKey
LYWBMBWERYZRMK-UHFFFAOYSA-N
Compound name
naphthalen-1-yl N-methyl-N-phenylsulfanylsulfinylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.04935 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.05663 172.8
[M+Na]+ 380.03857 185.7
[M+NH4]+ 375.08317 181.8
[M+K]+ 396.01251 175.1
[M-H]- 356.04207 178.3
[M+Na-2H]- 378.02402 181.7
[M]+ 357.04880 177.3
[M]- 357.04990 177.3
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.