CID 13278

3-(3-pyridyl)coumarin

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN=CC=C3
InChI
InChI=1S/C14H9NO2/c16-14-12(11-5-3-7-15-9-11)8-10-4-1-2-6-13(10)17-14/h1-9H
InChIKey
BPYWYJSDRHTBHG-UHFFFAOYSA-N
Compound name
3-pyridin-3-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

223.06332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 145.7
[M+Na]+ 246.05254 163.8
[M+NH4]+ 241.09714 155.4
[M+K]+ 262.02648 155.3
[M-H]- 222.05604 152.5
[M+Na-2H]- 244.03799 156.6
[M]+ 223.06277 150.5
[M]- 223.06387 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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