CID 495140

Nsc644620

Structural Information

Molecular Formula
C24H24O6
SMILES
CC1C(OC(O1)C2=C3CC(OC3=C4C(=C2OC)C(=O)C5=CC=CC=C5C4=O)(C)C)C
InChI
InChI=1S/C24H24O6/c1-11-12(2)29-23(28-11)16-15-10-24(3,4)30-21(15)17-18(22(16)27-5)20(26)14-9-7-6-8-13(14)19(17)25/h6-9,11-12,23H,10H2,1-5H3
InChIKey
DEYWFKTUCIHOIW-UHFFFAOYSA-N
Compound name
4-(4,5-dimethyl-1,3-dioxolan-2-yl)-5-methoxy-2,2-dimethyl-3H-naphtho[3,2-g][1]benzofuran-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1573 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16458 195.2
[M+Na]+ 431.14652 206.3
[M-H]- 407.15002 207.6
[M+NH4]+ 426.19112 211.3
[M+K]+ 447.12046 205.0
[M+H-H2O]+ 391.15456 190.7
[M+HCOO]- 453.15550 209.1
[M+CH3COO]- 467.17115 207.0
[M+Na-2H]- 429.13197 194.5
[M]+ 408.15675 202.7
[M]- 408.15785 202.7
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.