CID 3008016

2-dimethylaminoethyl n-benzylcarbamodithioate

Structural Information

Molecular Formula
C12H18N2S2
SMILES
CN(C)CCSC(=S)NCC1=CC=CC=C1
InChI
InChI=1S/C12H18N2S2/c1-14(2)8-9-16-12(15)13-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,13,15)
InChIKey
AKFDBNOCDDSIFB-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-benzylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.09114 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09842 155.8
[M+Na]+ 277.08036 160.6
[M-H]- 253.08386 159.7
[M+NH4]+ 272.12496 173.4
[M+K]+ 293.05430 156.2
[M+H-H2O]+ 237.08840 148.3
[M+HCOO]- 299.08934 169.4
[M+CH3COO]- 313.10499 200.5
[M+Na-2H]- 275.06581 156.3
[M]+ 254.09059 157.8
[M]- 254.09169 157.8
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.