CID 237761

N,n-dimethyl{[(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)methyl]sulfanyl}carbothioamide

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 160.6
[M+Na]+ 303.02325 169.8
[M-H]- 279.02675 165.3
[M+NH4]+ 298.06785 179.6
[M+K]+ 318.99719 165.7
[M+H-H2O]+ 263.03129 154.9
[M+HCOO]- 325.03223 172.5
[M+CH3COO]- 339.04788 201.7
[M+Na-2H]- 301.00870 159.4
[M]+ 280.03348 165.4
[M]- 280.03458 165.4
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.