CID 3008022

2-(diethylamino)ethyl 4-methylbenzyldithiocarbamate

Structural Information

Molecular Formula
C15H24N2S2
SMILES
CCN(CC)CCSC(=S)NCC1=CC=C(C=C1)C
InChI
InChI=1S/C15H24N2S2/c1-4-17(5-2)10-11-19-15(18)16-12-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKey
AYEBKUQGKZEZCM-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-[(4-methylphenyl)methyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.1381 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14538 168.1
[M+Na]+ 319.12732 172.4
[M-H]- 295.13082 171.7
[M+NH4]+ 314.17192 184.2
[M+K]+ 335.10126 167.2
[M+H-H2O]+ 279.13536 160.2
[M+HCOO]- 341.13630 180.6
[M+CH3COO]- 355.15195 210.4
[M+Na-2H]- 317.11277 166.6
[M]+ 296.13755 171.4
[M]- 296.13865 171.4
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.