CID 3033811

Brn 2651494

Structural Information

Molecular Formula
C14H22N2S
SMILES
CCN(CC)CC(=S)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C14H22N2S/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKey
CJJVRYZNYFZMGW-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2,6-dimethylphenyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.15038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15766 159.6
[M+Na]+ 273.13960 165.2
[M-H]- 249.14310 164.4
[M+NH4]+ 268.18420 177.8
[M+K]+ 289.11354 162.1
[M+H-H2O]+ 233.14764 152.4
[M+HCOO]- 295.14858 178.5
[M+CH3COO]- 309.16423 205.0
[M+Na-2H]- 271.12505 159.4
[M]+ 250.14983 162.5
[M]- 250.15093 162.5
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

patents stripe