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]+ 209.049166 141.2
[M+Na]+ 231.031108 151.9
[M-H]- 207.034614 143.4
[M+NH4]+ 226.075713 157.5
[M+K]+ 247.005048 146.7
[M+H-H2O]+ 191.039150 133.6
[M+HCOO]- 253.040091 158.8
[M+CH3COO]- 267.055741 153.7
[M+Na-2H]- 229.016556 144.1
[M]+ 208.04134142 140.8
[M]- 208.04243858 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.