CID 210797

2-methyl-3-(o-tolyl)-4(3h)-pteridinone

Structural Information

Molecular Formula
C14H12N4O
SMILES
CC1=CC=CC=C1N2C(=NC3=NC=CN=C3C2=O)C
InChI
InChI=1S/C14H12N4O/c1-9-5-3-4-6-11(9)18-10(2)17-13-12(14(18)19)15-7-8-16-13/h3-8H,1-2H3
InChIKey
NCESXFWKDXOHFT-UHFFFAOYSA-N
Compound name
2-methyl-3-(2-methylphenyl)pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

252.1011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 157.5
[M+Na]+ 275.09032 175.6
[M+NH4]+ 270.13492 165.2
[M+K]+ 291.06426 167.4
[M-H]- 251.09382 160.9
[M+Na-2H]- 273.07577 167.2
[M]+ 252.10055 161.2
[M]- 252.10165 161.2
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

patents stripe