CID 54678442

4-hydroxy-3-(1-naphthyl)coumarin

Structural Information

Molecular Formula
C19H12O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C19H12O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,20H
InChIKey
HOHNSHNCSSSVEW-UHFFFAOYSA-N
Compound name
4-hydroxy-3-naphthalen-1-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

288.07864 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.085916 162.8
[M+Na]+ 311.067858 174.4
[M-H]- 287.071364 172.0
[M+NH4]+ 306.112463 178.6
[M+K]+ 327.041798 169.6
[M+H-H2O]+ 271.075900 154.4
[M+HCOO]- 333.076841 184.5
[M+CH3COO]- 347.092491 176.0
[M+Na-2H]- 309.053306 172.5
[M]+ 288.07809142 166.2
[M]- 288.07918858 166.2
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

patents stripe