CID 237761

6310-32-3

Structural Information

Molecular Formula
C12H12N2O2S2
SMILES
CN(C)C(=S)SCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H12N2O2S2/c1-13(2)12(17)18-7-14-10(15)8-5-3-4-6-9(8)11(14)16/h3-6H,7H2,1-2H3
InChIKey
YQNNGDCTYQHJCM-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl)methyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.03403 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04131 162.4
[M+Na]+ 303.02325 172.0
[M+NH4]+ 298.06785 170.3
[M+K]+ 318.99719 164.5
[M-H]- 279.02675 163.9
[M+Na-2H]- 301.00870 164.8
[M]+ 280.03348 164.9
[M]- 280.03458 164.9
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.