CID 369149

Nsc640736

Structural Information

Molecular Formula
C20H16O3
SMILES
CC1=C(C=CC(=C1)OC)C2C3=C(C4=CC=CC=C4C=C3)C(=O)O2
InChI
InChI=1S/C20H16O3/c1-12-11-14(22-2)8-10-15(12)19-17-9-7-13-5-3-4-6-16(13)18(17)20(21)23-19/h3-11,19H,1-2H3
InChIKey
PMVCYRWPQFDLEX-UHFFFAOYSA-N
Compound name
3-(4-methoxy-2-methylphenyl)-3H-benzo[g][2]benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10995 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11723 169.5
[M+Na]+ 327.09917 180.0
[M-H]- 303.10267 179.6
[M+NH4]+ 322.14377 187.5
[M+K]+ 343.07311 176.0
[M+H-H2O]+ 287.10721 162.3
[M+HCOO]- 349.10815 190.5
[M+CH3COO]- 363.12380 182.6
[M+Na-2H]- 325.08462 173.7
[M]+ 304.10940 173.6
[M]- 304.11050 173.6
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.