CID 465175

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

Structural Information

Molecular Formula
C13H16N2O2S2
SMILES
CCCNC(=O)OCCN=C1C2=CC=CC=C2SS1
InChI
InChI=1S/C13H16N2O2S2/c1-2-7-15-13(16)17-9-8-14-12-10-5-3-4-6-11(10)18-19-12/h3-6H,2,7-9H2,1H3,(H,15,16)
InChIKey
ORUREVBENQEIBU-UHFFFAOYSA-N
Compound name
2-(1,2-benzodithiol-3-ylideneamino)ethyl N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.0653 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07258 164.1
[M+Na]+ 319.05452 172.6
[M-H]- 295.05802 169.8
[M+NH4]+ 314.09912 183.4
[M+K]+ 335.02846 167.7
[M+H-H2O]+ 279.06256 157.6
[M+HCOO]- 341.06350 181.7
[M+CH3COO]- 355.07915 203.4
[M+Na-2H]- 317.03997 167.2
[M]+ 296.06475 171.1
[M]- 296.06585 171.1
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.