CID 854705

7-methyl-9,10,11,12-tetrahydro-5h-benzo[c][1]benzofuro[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C20H16O3
SMILES
CC1=C2C(=CC3=C1OC4=C3CCCC4)C5=CC=CC=C5C(=O)O2
InChI
InChI=1S/C20H16O3/c1-11-18-16(13-7-4-5-9-17(13)22-18)10-15-12-6-2-3-8-14(12)20(21)23-19(11)15/h2-3,6,8,10H,4-5,7,9H2,1H3
InChIKey
AQNBALPSVLDDRH-UHFFFAOYSA-N
Compound name
12-methyl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),12,16,18,20-heptaen-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10995 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11723 165.7
[M+Na]+ 327.09917 178.4
[M-H]- 303.10267 175.5
[M+NH4]+ 322.14377 184.4
[M+K]+ 343.07311 174.6
[M+H-H2O]+ 287.10721 158.6
[M+HCOO]- 349.10815 184.8
[M+CH3COO]- 363.12380 179.3
[M+Na-2H]- 325.08462 174.0
[M]+ 304.10940 171.5
[M]- 304.11050 171.5
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.