CID 135951885

2-(beta-diethylaminoethyl)thio-6-methylpyrimidinone dihydrochloride

Structural Information

Molecular Formula
C11H19N3OS
SMILES
CCN(CC)CCSC1=NC(=CC(=O)N1)C
InChI
InChI=1S/C11H19N3OS/c1-4-14(5-2)6-7-16-11-12-9(3)8-10(15)13-11/h8H,4-7H2,1-3H3,(H,12,13,15)
InChIKey
UXYOMSVQHJRORZ-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.12488 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13216 155.4
[M+Na]+ 264.11410 166.5
[M+NH4]+ 259.15870 162.4
[M+K]+ 280.08804 158.5
[M-H]- 240.11760 156.6
[M+Na-2H]- 262.09955 160.1
[M]+ 241.12433 157.6
[M]- 241.12543 157.6
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.