CID 214923

Brn 1142527

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CCOC1=CC=C(C=C1)N2C(=NC3=NC=CN=C3C2=O)C
InChI
InChI=1S/C15H14N4O2/c1-3-21-12-6-4-11(5-7-12)19-10(2)18-14-13(15(19)20)16-8-9-17-14/h4-9H,3H2,1-2H3
InChIKey
NVPHRKOYLQIZSC-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-2-methylpteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11166 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.118936 167.0
[M+Na]+ 305.100878 178.3
[M-H]- 281.104384 169.8
[M+NH4]+ 300.145483 178.5
[M+K]+ 321.074818 172.7
[M+H-H2O]+ 265.108920 155.9
[M+HCOO]- 327.109861 185.5
[M+CH3COO]- 341.125511 178.1
[M+Na-2H]- 303.086326 174.4
[M]+ 282.11111142 170.5
[M]- 282.11220858 170.5
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.