CID 342534

5,7-dimethoxy-3-(1-naphthoyl)coumarin

Structural Information

Molecular Formula
C22H16O5
SMILES
COC1=CC2=C(C=C(C(=O)O2)C(=O)C3=CC=CC4=CC=CC=C43)C(=C1)OC
InChI
InChI=1S/C22H16O5/c1-25-14-10-19(26-2)17-12-18(22(24)27-20(17)11-14)21(23)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3
InChIKey
ZMPZRDHZQFCUSJ-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-3-(naphthalene-1-carbonyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

842
Patents

360.09976 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10704 182.6
[M+Na]+ 383.08898 193.4
[M-H]- 359.09248 192.9
[M+NH4]+ 378.13358 195.8
[M+K]+ 399.06292 190.5
[M+H-H2O]+ 343.09702 172.9
[M+HCOO]- 405.09796 204.0
[M+CH3COO]- 419.11361 194.8
[M+Na-2H]- 381.07443 189.2
[M]+ 360.09921 190.5
[M]- 360.10031 190.5
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

patents stripe