CID 136278591

6-(aminomethyl)-2-(1,3-thiazol-4-yl)-3,4-dihydropyrimidin-4-one dihydrochloride

Structural Information

Molecular Formula
C8H8N4OS
SMILES
C1=C(N=C(NC1=O)C2=CSC=N2)CN
InChI
InChI=1S/C8H8N4OS/c9-2-5-1-7(13)12-8(11-5)6-3-14-4-10-6/h1,3-4H,2,9H2,(H,11,12,13)
InChIKey
JANUWBKQSGVBCI-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04189 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04917 141.9
[M+Na]+ 231.03111 153.9
[M+NH4]+ 226.07571 149.1
[M+K]+ 247.00505 148.4
[M-H]- 207.03461 143.8
[M+Na-2H]- 229.01656 148.5
[M]+ 208.04134 144.3
[M]- 208.04244 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.