CID 25878

Diaethylaminothioacetyl-2,6-xylidin hydrochlorid [german]

Structural Information

Molecular Formula
C14H22N2OS2
SMILES
CCN(CC)CC(=O)NC1=C(C=CC=C1SC)SC
InChI
InChI=1S/C14H22N2OS2/c1-5-16(6-2)10-13(17)15-14-11(18-3)8-7-9-12(14)19-4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKey
CUDSGDACNKGGMJ-UHFFFAOYSA-N
Compound name
N-[2,6-bis(methylsulfanyl)phenyl]-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11737 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12465 167.2
[M+Na]+ 321.10659 172.3
[M-H]- 297.11009 171.2
[M+NH4]+ 316.15119 183.3
[M+K]+ 337.08053 167.9
[M+H-H2O]+ 281.11463 159.4
[M+HCOO]- 343.11557 180.2
[M+CH3COO]- 357.13122 211.2
[M+Na-2H]- 319.09204 165.6
[M]+ 298.11682 172.0
[M]- 298.11792 172.0
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.