CID 854723

11-methyl-4-phenyl-6,7,8,9-tetrahydro-2h-[1]benzofuro[3,2-g]chromen-2-one

Structural Information

Molecular Formula
C22H18O3
SMILES
CC1=C2C(=CC3=C1OC4=C3CCCC4)C(=CC(=O)O2)C5=CC=CC=C5
InChI
InChI=1S/C22H18O3/c1-13-21-17(15-9-5-6-10-19(15)24-21)11-18-16(12-20(23)25-22(13)18)14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKey
GAXOTFQMPVZJID-UHFFFAOYSA-N
Compound name
11-methyl-4-phenyl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12558 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13286 175.3
[M+Na]+ 353.11480 186.2
[M-H]- 329.11830 186.8
[M+NH4]+ 348.15940 191.5
[M+K]+ 369.08874 182.3
[M+H-H2O]+ 313.12284 167.4
[M+HCOO]- 375.12378 194.0
[M+CH3COO]- 389.13943 187.9
[M+Na-2H]- 351.10025 181.0
[M]+ 330.12503 179.0
[M]- 330.12613 179.0
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.