CID 136177848

1154345-57-9

Structural Information

Molecular Formula
C11H11N3O2
SMILES
COC1=CC=C(C=C1)C2=NC(=CC(=O)N2)N
InChI
InChI=1S/C11H11N3O2/c1-16-8-4-2-7(3-5-8)11-13-9(12)6-10(15)14-11/h2-6H,1H3,(H3,12,13,14,15)
InChIKey
APUPEQYZGDNRMT-UHFFFAOYSA-N
Compound name
4-amino-2-(4-methoxyphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 146.4
[M+Na]+ 240.07435 156.1
[M-H]- 216.07785 149.6
[M+NH4]+ 235.11895 161.3
[M+K]+ 256.04829 151.6
[M+H-H2O]+ 200.08239 138.1
[M+HCOO]- 262.08333 168.7
[M+CH3COO]- 276.09898 187.0
[M+Na-2H]- 238.05980 152.9
[M]+ 217.08458 145.3
[M]- 217.08568 145.3
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.