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 141.2
[M+Na]+ 231.03111 151.9
[M-H]- 207.03461 143.4
[M+NH4]+ 226.07571 157.5
[M+K]+ 247.00505 146.7
[M+H-H2O]+ 191.03915 133.6
[M+HCOO]- 253.04009 158.8
[M+CH3COO]- 267.05574 153.7
[M+Na-2H]- 229.01656 144.1
[M]+ 208.04134 140.8
[M]- 208.04244 140.8
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.