CID 3032585

Methyl dithio-p-ethoxycarbanilate

Structural Information

Molecular Formula
C10H13NOS2
SMILES
CCOC1=CC=C(C=C1)NC(=S)SC
InChI
InChI=1S/C10H13NOS2/c1-3-12-9-6-4-8(5-7-9)11-10(13)14-2/h4-7H,3H2,1-2H3,(H,11,13)
InChIKey
LMRCFYUILLMSDJ-UHFFFAOYSA-N
Compound name
methyl N-(4-ethoxyphenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

227.04385 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05113 147.4
[M+Na]+ 250.03307 158.0
[M+NH4]+ 245.07767 156.4
[M+K]+ 266.00701 147.9
[M-H]- 226.03657 150.4
[M+Na-2H]- 248.01852 152.6
[M]+ 227.04330 150.6
[M]- 227.04440 150.6
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

patents stripe