CID 11998575

Palomid 529

Structural Information

Molecular Formula
C24H22O6
SMILES
CC(C1=CC2=C(C=C1)C3=CC(=C(C=C3OC2=O)OCC4=CC=C(C=C4)OC)OC)O
InChI
InChI=1S/C24H22O6/c1-14(25)16-6-9-18-19-11-22(28-3)23(12-21(19)30-24(26)20(18)10-16)29-13-15-4-7-17(27-2)8-5-15/h4-12,14,25H,13H2,1-3H3
InChIKey
YEAHTLOYHVWAKW-UHFFFAOYSA-N
Compound name
8-(1-hydroxyethyl)-2-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

4165
Patents

406.14163 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.14891 195.4
[M+Na]+ 429.13085 212.9
[M+NH4]+ 424.17545 202.6
[M+K]+ 445.10479 205.0
[M-H]- 405.13435 201.7
[M+Na-2H]- 427.11630 202.4
[M]+ 406.14108 200.0
[M]- 406.14218 200.0
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