CID 465174

2-[(z)-1,2-benzodithiol-3-ylideneamino]ethyl n-ethylcarbamate

Structural Information

Molecular Formula
C12H14N2O2S2
SMILES
CCNC(=O)OCCN=C1C2=CC=CC=C2SS1
InChI
InChI=1S/C12H14N2O2S2/c1-2-13-12(15)16-8-7-14-11-9-5-3-4-6-10(9)17-18-11/h3-6H,2,7-8H2,1H3,(H,13,15)
InChIKey
XLGSLWYFXMTJPT-UHFFFAOYSA-N
Compound name
2-(1,2-benzodithiol-3-ylideneamino)ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.04968 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05696 159.9
[M+Na]+ 305.03890 168.8
[M-H]- 281.04240 165.8
[M+NH4]+ 300.08350 179.7
[M+K]+ 321.01284 164.1
[M+H-H2O]+ 265.04694 153.5
[M+HCOO]- 327.04788 177.7
[M+CH3COO]- 341.06353 200.5
[M+Na-2H]- 303.02435 163.4
[M]+ 282.04913 166.5
[M]- 282.05023 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.