CID 465176

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.0653 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07258 165.2
[M+Na]+ 319.05452 173.2
[M-H]- 295.05802 170.9
[M+NH4]+ 314.09912 184.3
[M+K]+ 335.02846 168.9
[M+H-H2O]+ 279.06256 158.7
[M+HCOO]- 341.06350 181.6
[M+CH3COO]- 355.07915 204.2
[M+Na-2H]- 317.03997 167.2
[M]+ 296.06475 171.6
[M]- 296.06585 171.6
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.