CID 5277683

Ethyl n-(dithioxo[?]yl)carbamate

Structural Information

Molecular Formula
C10H9N5O2S2
SMILES
CCOC(=O)NC1=NC2=C3C(=C1)NC(=S)N3C(=S)N2
InChI
InChI=1S/C10H9N5O2S2/c1-2-17-10(16)13-5-3-4-6-7(12-5)14-9(19)15(6)8(18)11-4/h3H,2H2,1H3,(H,11,18)(H2,12,13,14,16,19)
InChIKey
SRGCHPZLKSCOEV-UHFFFAOYSA-N
Compound name
ethyl N-[3,5-bis(sulfanylidene)-2,4,6,8-tetrazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-9-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.01978 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02706 161.6
[M+Na]+ 318.00900 175.5
[M-H]- 294.01250 160.9
[M+NH4]+ 313.05360 178.1
[M+K]+ 333.98294 168.7
[M+H-H2O]+ 278.01704 157.5
[M+HCOO]- 340.01798 171.4
[M+CH3COO]- 354.03363 172.9
[M+Na-2H]- 315.99445 163.0
[M]+ 295.01923 167.9
[M]- 295.02033 167.9
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

No patent data available for this compound.