CID 363869

Nsc629159

Structural Information

Molecular Formula
C20H18O4
SMILES
CCC(C1CC2=C(O1)C3=C(C=C2C)C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C20H18O4/c1-3-15(21)16-9-13-10(2)8-14-17(20(13)24-16)19(23)12-7-5-4-6-11(12)18(14)22/h4-8,15-16,21H,3,9H2,1-2H3
InChIKey
XCZPSKZKNPMOFK-UHFFFAOYSA-N
Compound name
2-(1-hydroxypropyl)-4-methyl-2,3-dihydronaphtho[2,3-g][1]benzofuran-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 173.5
[M+Na]+ 345.10972 182.9
[M-H]- 321.11322 179.6
[M+NH4]+ 340.15432 191.2
[M+K]+ 361.08366 178.8
[M+H-H2O]+ 305.11776 167.6
[M+HCOO]- 367.11870 188.9
[M+CH3COO]- 381.13435 185.0
[M+Na-2H]- 343.09517 175.4
[M]+ 322.11995 176.2
[M]- 322.12105 176.2
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.