CID 3032753

Carbonic acid, thio-, anhydrosulfide with dithio-1-naphthalenecarbamic acid, ethyl ester

Structural Information

Molecular Formula
C14H13NO2S2
SMILES
CCOC(=O)SC(=S)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H13NO2S2/c1-2-17-14(16)19-13(18)15-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H,15,18)
InChIKey
OJRMDJRCTJAGCW-UHFFFAOYSA-N
Compound name
ethyl naphthalen-1-ylcarbamothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.03876 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04604 161.7
[M+Na]+ 314.02798 168.5
[M-H]- 290.03148 165.4
[M+NH4]+ 309.07258 178.6
[M+K]+ 330.00192 163.0
[M+H-H2O]+ 274.03602 155.2
[M+HCOO]- 336.03696 173.2
[M+CH3COO]- 350.05261 199.5
[M+Na-2H]- 312.01343 164.0
[M]+ 291.03821 164.9
[M]- 291.03931 164.9
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.