CID 5355356

19152-93-3

Structural Information

Molecular Formula
C12H10N6O
SMILES
C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3NC2=O)N)N
InChI
InChI=1S/C12H10N6O/c13-9-8-10(18-12(14)16-9)17-11(19)7(15-8)6-4-2-1-3-5-6/h1-5H,(H5,13,14,16,17,18,19)
InChIKey
USTXKGPQJJRCTO-UHFFFAOYSA-N
Compound name
2,4-diamino-6-phenyl-8H-pteridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.09161 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09889 155.6
[M+Na]+ 277.08083 170.3
[M+NH4]+ 272.12543 161.8
[M+K]+ 293.05477 164.3
[M-H]- 253.08433 158.6
[M+Na-2H]- 275.06628 163.6
[M]+ 254.09106 158.3
[M]- 254.09216 158.3
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

No patent data available for this compound.