CID 26119

Carbamic acid, diethyldithio-, benzamidomethyl ester

Structural Information

Molecular Formula
C13H18N2OS2
SMILES
CCN(CC)C(=S)SCNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H18N2OS2/c1-3-15(4-2)13(17)18-10-14-12(16)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,14,16)
InChIKey
GJIVFFKKYIWZJB-UHFFFAOYSA-N
Compound name
benzamidomethyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08606 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09334 164.1
[M+Na]+ 305.07528 168.2
[M-H]- 281.07878 167.8
[M+NH4]+ 300.11988 180.3
[M+K]+ 321.04922 164.0
[M+H-H2O]+ 265.08332 156.3
[M+HCOO]- 327.08426 176.7
[M+CH3COO]- 341.09991 204.7
[M+Na-2H]- 303.06073 163.3
[M]+ 282.08551 166.4
[M]- 282.08661 166.4
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.