CID 388150

Nsc682714

Structural Information

Molecular Formula
C26H20O5
SMILES
CC1(C(C2=C(O1)C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)C
InChI
InChI=1S/C26H20O5/c1-26(2)21(25(28)29)20-18(31-26)14-13-17-22(27)19(15-9-5-3-6-10-15)23(30-24(17)20)16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H,28,29)
InChIKey
FGNMDOTVDZSLKX-UHFFFAOYSA-N
Compound name
8,8-dimethyl-4-oxo-2,3-diphenyl-9H-furo[2,3-h]chromene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.13107 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.13835 198.8
[M+Na]+ 435.12029 208.9
[M-H]- 411.12379 211.5
[M+NH4]+ 430.16489 211.5
[M+K]+ 451.09423 205.7
[M+H-H2O]+ 395.12833 190.1
[M+HCOO]- 457.12927 215.6
[M+CH3COO]- 471.14492 209.7
[M+Na-2H]- 433.10574 201.1
[M]+ 412.13052 203.3
[M]- 412.13162 203.3
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.