CID 3008025

2-dimethylaminoethyl n-[(2,5-dimethylphenyl)methyl]carbamodithioate

Structural Information

Molecular Formula
C14H22N2S2
SMILES
CC1=CC(=C(C=C1)C)CNC(=S)SCCN(C)C
InChI
InChI=1S/C14H22N2S2/c1-11-5-6-12(2)13(9-11)10-15-14(17)18-8-7-16(3)4/h5-6,9H,7-8,10H2,1-4H3,(H,15,17)
InChIKey
TYYVOUREQNZUEX-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-[(2,5-dimethylphenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.12244 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12972 163.6
[M+Na]+ 305.11166 169.0
[M-H]- 281.11516 167.7
[M+NH4]+ 300.15626 180.5
[M+K]+ 321.08560 164.1
[M+H-H2O]+ 265.11970 156.0
[M+HCOO]- 327.12064 176.3
[M+CH3COO]- 341.13629 208.6
[M+Na-2H]- 303.09711 161.8
[M]+ 282.12189 166.9
[M]- 282.12299 166.9
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.