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 159.4
[M+Na]+ 275.09032 171.5
[M-H]- 251.09382 162.5
[M+NH4]+ 270.13492 172.3
[M+K]+ 291.06426 165.4
[M+H-H2O]+ 235.09836 148.9
[M+HCOO]- 297.09930 178.2
[M+CH3COO]- 311.11495 171.3
[M+Na-2H]- 273.07577 167.5
[M]+ 252.10055 161.3
[M]- 252.10165 161.3
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

patents stripe