CID 370623

Nsc643916

Structural Information

Molecular Formula
C30H22O3
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2OC4C(=CC5=CC=CC=C5O4)C6=CC=CC=C6
InChI
InChI=1S/C30H22O3/c1-3-11-21(12-4-1)25-19-23-15-7-9-17-27(23)31-29(25)33-30-26(22-13-5-2-6-14-22)20-24-16-8-10-18-28(24)32-30/h1-20,29-30H
InChIKey
YAKDOYHRLNCZJM-UHFFFAOYSA-N
Compound name
3-phenyl-2-[(3-phenyl-2H-chromen-2-yl)oxy]-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.1569 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.16418 206.2
[M+Na]+ 453.14612 212.3
[M-H]- 429.14962 220.3
[M+NH4]+ 448.19072 213.2
[M+K]+ 469.12006 207.7
[M+H-H2O]+ 413.15416 192.9
[M+HCOO]- 475.15510 221.7
[M+CH3COO]- 489.17075 214.6
[M+Na-2H]- 451.13157 211.1
[M]+ 430.15635 205.4
[M]- 430.15745 205.4
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.