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 158.4
[M+Na]+ 277.08083 169.4
[M-H]- 253.08433 159.8
[M+NH4]+ 272.12543 169.5
[M+K]+ 293.05477 162.2
[M+H-H2O]+ 237.08887 148.6
[M+HCOO]- 299.08981 177.4
[M+CH3COO]- 313.10546 169.0
[M+Na-2H]- 275.06628 166.6
[M]+ 254.09106 154.9
[M]- 254.09216 154.9
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