CID 4100111

7-amino-4-hydroxy-5-phenyl-5h-pyrano[2,3-d]pyrimidine-6-carbonitrile

Structural Information

Molecular Formula
C14H10N4O2
SMILES
C1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)NC=N3)N)C#N
InChI
InChI=1S/C14H10N4O2/c15-6-9-10(8-4-2-1-3-5-8)11-13(19)17-7-18-14(11)20-12(9)16/h1-5,7,10H,16H2,(H,17,18,19)
InChIKey
IMGMDPKDQCYHJH-UHFFFAOYSA-N
Compound name
7-amino-4-oxo-5-phenyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.08038 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08766 162.9
[M+Na]+ 289.06960 174.3
[M-H]- 265.07310 165.2
[M+NH4]+ 284.11420 173.5
[M+K]+ 305.04354 167.9
[M+H-H2O]+ 249.07764 147.2
[M+HCOO]- 311.07858 177.7
[M+CH3COO]- 325.09423 172.2
[M+Na-2H]- 287.05505 168.5
[M]+ 266.07983 155.7
[M]- 266.08093 155.7
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.