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

12
Patents

252.1011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.108376 159.4
[M+Na]+ 275.090318 171.5
[M-H]- 251.093824 162.5
[M+NH4]+ 270.134923 172.3
[M+K]+ 291.064258 165.4
[M+H-H2O]+ 235.098360 148.9
[M+HCOO]- 297.099301 178.2
[M+CH3COO]- 311.114951 171.3
[M+Na-2H]- 273.075766 167.5
[M]+ 252.10055142 161.3
[M]- 252.10164858 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