CID 135978331

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

Structural Information

Molecular Formula
C10H10N4O
SMILES
C1=CC=NC(=C1)C2=NC(=CC(=O)N2)CN
InChI
InChI=1S/C10H10N4O/c11-6-7-5-9(15)14-10(13-7)8-3-1-2-4-12-8/h1-5H,6,11H2,(H,13,14,15)
InChIKey
WGIFIONSCXTFPY-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-pyridin-2-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08546 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09274 143.6
[M+Na]+ 225.07468 152.9
[M-H]- 201.07818 145.0
[M+NH4]+ 220.11928 157.4
[M+K]+ 241.04862 147.7
[M+H-H2O]+ 185.08272 134.6
[M+HCOO]- 247.08366 164.6
[M+CH3COO]- 261.09931 155.4
[M+Na-2H]- 223.06013 151.4
[M]+ 202.08491 140.7
[M]- 202.08601 140.7
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.