CID 54676469

Coumarin, 4-hydroxy-3-(beta-naphthyl)-

Structural Information

Molecular Formula
C19H12O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C19H12O3/c20-18-15-7-3-4-8-16(15)22-19(21)17(18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H
InChIKey
YUPFGZHXOCKLOS-UHFFFAOYSA-N
Compound name
4-hydroxy-3-naphthalen-2-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07864 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08592 162.8
[M+Na]+ 311.06786 174.4
[M-H]- 287.07136 172.0
[M+NH4]+ 306.11246 178.6
[M+K]+ 327.04180 169.6
[M+H-H2O]+ 271.07590 154.4
[M+HCOO]- 333.07684 184.5
[M+CH3COO]- 347.09249 176.0
[M+Na-2H]- 309.05331 172.5
[M]+ 288.07809 166.2
[M]- 288.07919 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.