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 178.5
[M+Na]+ 380.03857 184.6
[M-H]- 356.04207 186.3
[M+NH4]+ 375.08317 192.6
[M+K]+ 396.01251 180.0
[M+H-H2O]+ 340.04661 170.4
[M+HCOO]- 402.04755 191.0
[M+CH3COO]- 416.06320 213.8
[M+Na-2H]- 378.02402 181.4
[M]+ 357.04880 183.2
[M]- 357.04990 183.2
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.