CID 1837677

374768-39-5

Structural Information

Molecular Formula
C28H18O3
SMILES
CC1=C2C(=CC3=C1OC=C3C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O2
InChI
InChI=1S/C28H18O3/c1-17-26-24(15-23-21-9-5-6-10-22(21)28(29)31-27(17)23)25(16-30-26)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-16H,1H3
InChIKey
DYCLERUVNBOFTG-UHFFFAOYSA-N
Compound name
7-methyl-10-(4-phenylphenyl)-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.12558 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13286 198.7
[M+Na]+ 425.11480 211.8
[M-H]- 401.11830 214.0
[M+NH4]+ 420.15940 211.5
[M+K]+ 441.08874 206.5
[M+H-H2O]+ 385.12284 188.7
[M+HCOO]- 447.12378 220.1
[M+CH3COO]- 461.13943 210.9
[M+Na-2H]- 423.10025 204.5
[M]+ 402.12503 205.8
[M]- 402.12613 205.8
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.