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

1
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

literature stripe

Patent stripe

patents stripe