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 146.4
[M+Na]+ 250.03307 153.6
[M-H]- 226.03657 149.8
[M+NH4]+ 245.07767 165.1
[M+K]+ 266.00701 148.9
[M+H-H2O]+ 210.04111 140.1
[M+HCOO]- 272.04205 159.7
[M+CH3COO]- 286.05770 189.5
[M+Na-2H]- 248.01852 147.3
[M]+ 227.04330 149.0
[M]- 227.04440 149.0
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