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]+ 299.124646 167.2
[M+Na]+ 321.106588 172.3
[M-H]- 297.110094 171.2
[M+NH4]+ 316.151193 183.3
[M+K]+ 337.080528 167.9
[M+H-H2O]+ 281.114630 159.4
[M+HCOO]- 343.115571 180.2
[M+CH3COO]- 357.131221 211.2
[M+Na-2H]- 319.092036 165.6
[M]+ 298.11682142 172.0
[M]- 298.11791858 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.