CID 5485972

63549-25-7

Structural Information

Molecular Formula
C30H25O5
SMILES
COC1=C([O+]=C2C=C(C=CC2=C1)O)C3=C(C=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C30H24O5/c1-32-29-16-23-12-13-24(31)17-27(23)35-30(29)26-15-14-25(33-19-21-8-4-2-5-9-21)18-28(26)34-20-22-10-6-3-7-11-22/h2-18H,19-20H2,1H3/p+1
InChIKey
DFWGMBMMFIRRRR-UHFFFAOYSA-O
Compound name
2-[2,4-bis(phenylmethoxy)phenyl]-3-methoxychromenylium-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.1702 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.17748 222.9
[M+Na]+ 488.15942 228.5
[M-H]- 464.16292 235.4
[M+NH4]+ 483.20402 228.3
[M+K]+ 504.13336 218.6
[M+H-H2O]+ 448.16746 212.1
[M+HCOO]- 510.16840 240.8
[M+CH3COO]- 524.18405 226.8
[M+Na-2H]- 486.14487 227.8
[M]+ 465.16965 226.1
[M]- 465.17075 226.1
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.