CID 395147

Nsc699447

Structural Information

Molecular Formula
C22H16O5
SMILES
COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=CC=C3)C4=CC=C(C=C4)O
InChI
InChI=1S/C22H16O5/c1-25-17-11-12-18-19(13-17)27-22(24)21(26-16-5-3-2-4-6-16)20(18)14-7-9-15(23)10-8-14/h2-13,23H,1H3
InChIKey
ZZYATZWOTZISSC-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)-7-methoxy-3-phenoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

360.09976 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10704 183.5
[M+Na]+ 383.08898 193.1
[M-H]- 359.09248 194.4
[M+NH4]+ 378.13358 194.8
[M+K]+ 399.06292 189.6
[M+H-H2O]+ 343.09702 173.4
[M+HCOO]- 405.09796 204.5
[M+CH3COO]- 419.11361 195.0
[M+Na-2H]- 381.07443 189.2
[M]+ 360.09921 188.2
[M]- 360.10031 188.2
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.