CID 3008026

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

Structural Information

Molecular Formula
C16H26N2S2
SMILES
CCN(CC)CCSC(=S)NCC1=C(C=CC(=C1)C)C
InChI
InChI=1S/C16H26N2S2/c1-5-18(6-2)9-10-20-16(19)17-12-15-11-13(3)7-8-14(15)4/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,17,19)
InChIKey
LURJMRYTSZMVRP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-[(2,5-dimethylphenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.15375 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16103 171.9
[M+Na]+ 333.14297 176.5
[M-H]- 309.14647 175.6
[M+NH4]+ 328.18757 187.7
[M+K]+ 349.11691 171.2
[M+H-H2O]+ 293.15101 164.0
[M+HCOO]- 355.15195 184.1
[M+CH3COO]- 369.16760 214.4
[M+Na-2H]- 331.12842 169.3
[M]+ 310.15320 176.0
[M]- 310.15430 176.0
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.