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]+ 267.087656 162.9
[M+Na]+ 289.069598 174.3
[M-H]- 265.073104 165.2
[M+NH4]+ 284.114203 173.5
[M+K]+ 305.043538 167.9
[M+H-H2O]+ 249.077640 147.2
[M+HCOO]- 311.078581 177.7
[M+CH3COO]- 325.094231 172.2
[M+Na-2H]- 287.055046 168.5
[M]+ 266.07983142 155.7
[M]- 266.08092858 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.