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]+ 283.11894 167.0
[M+Na]+ 305.10088 178.3
[M-H]- 281.10438 169.8
[M+NH4]+ 300.14548 178.5
[M+K]+ 321.07482 172.7
[M+H-H2O]+ 265.10892 155.9
[M+HCOO]- 327.10986 185.5
[M+CH3COO]- 341.12551 178.1
[M+Na-2H]- 303.08633 174.4
[M]+ 282.11111 170.5
[M]- 282.11221 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.