CID 267426

16078-67-4

Structural Information

Molecular Formula
C11H8N4O3
SMILES
C1=CC=C(C=C1)N2C=C3C(=N2)C(=O)N(C(=O)N3)O
InChI
InChI=1S/C11H8N4O3/c16-10-9-8(12-11(17)15(10)18)6-14(13-9)7-4-2-1-3-5-7/h1-6,18H,(H,12,17)
InChIKey
UASLRSWSWDFDAT-UHFFFAOYSA-N
Compound name
6-hydroxy-2-phenyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.05965 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06693 150.8
[M+Na]+ 267.04887 164.2
[M-H]- 243.05237 152.6
[M+NH4]+ 262.09347 164.6
[M+K]+ 283.02281 158.1
[M+H-H2O]+ 227.05691 142.2
[M+HCOO]- 289.05785 170.6
[M+CH3COO]- 303.07350 163.3
[M+Na-2H]- 265.03432 157.7
[M]+ 244.05910 152.7
[M]- 244.06020 152.7
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.