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]+ 409.164576 195.2
[M+Na]+ 431.146518 206.3
[M-H]- 407.150024 207.6
[M+NH4]+ 426.191123 211.3
[M+K]+ 447.120458 205.0
[M+H-H2O]+ 391.154560 190.7
[M+HCOO]- 453.155501 209.1
[M+CH3COO]- 467.171151 207.0
[M+Na-2H]- 429.131966 194.5
[M]+ 408.15675142 202.7
[M]- 408.15784858 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.