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 154.0
[M+Na]+ 264.11410 161.7
[M-H]- 240.11760 155.0
[M+NH4]+ 259.15870 169.6
[M+K]+ 280.08804 158.0
[M+H-H2O]+ 224.12214 146.2
[M+HCOO]- 286.12308 170.3
[M+CH3COO]- 300.13873 195.6
[M+Na-2H]- 262.09955 155.7
[M]+ 241.12433 157.8
[M]- 241.12543 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.