CID 24971171

Chembl498400

Structural Information

Molecular Formula
C24H18N2O5
SMILES
C1=CC=C2C(=C1)N=CN2CCOC3=CC(=C4C(=C3)OC=C(C4=O)C5=CC=C(C=C5)O)O
InChI
InChI=1S/C24H18N2O5/c27-16-7-5-15(6-8-16)18-13-31-22-12-17(11-21(28)23(22)24(18)29)30-10-9-26-14-25-19-3-1-2-4-20(19)26/h1-8,11-14,27-28H,9-10H2
InChIKey
UQDRLURFZSRKRF-UHFFFAOYSA-N
Compound name
7-[2-(benzimidazol-1-yl)ethoxy]-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.12158 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12886 197.6
[M+Na]+ 437.11080 208.3
[M-H]- 413.11430 206.2
[M+NH4]+ 432.15540 206.0
[M+K]+ 453.08474 202.7
[M+H-H2O]+ 397.11884 186.9
[M+HCOO]- 459.11978 215.2
[M+CH3COO]- 473.13543 207.4
[M+Na-2H]- 435.09625 201.7
[M]+ 414.12103 203.4
[M]- 414.12213 203.4
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

No patent data available for this compound.