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]+ 242.132156 154.0
[M+Na]+ 264.114098 161.7
[M-H]- 240.117604 155.0
[M+NH4]+ 259.158703 169.6
[M+K]+ 280.088038 158.0
[M+H-H2O]+ 224.122140 146.2
[M+HCOO]- 286.123081 170.3
[M+CH3COO]- 300.138731 195.6
[M+Na-2H]- 262.099546 155.7
[M]+ 241.12433142 157.8
[M]- 241.12542858 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.