CID 369540

Nsc641401

Structural Information

Molecular Formula
C20H18O6
SMILES
CC1CCCC2(O1)C3=C(C4C(O2)CC(=O)O4)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C20H18O6/c1-10-5-4-8-20(25-10)16-15(19-13(26-20)9-14(21)24-19)17(22)11-6-2-3-7-12(11)18(16)23/h2-3,6-7,10,13,19H,4-5,8-9H2,1H3
InChIKey
OEUYGKAVYFGZFF-UHFFFAOYSA-N
Compound name
6'-methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,2'-oxane]-2,9,13-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.11035 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 176.8
[M+Na]+ 377.09957 185.4
[M-H]- 353.10307 186.6
[M+NH4]+ 372.14417 192.6
[M+K]+ 393.07351 184.2
[M+H-H2O]+ 337.10761 170.0
[M+HCOO]- 399.10855 187.2
[M+CH3COO]- 413.12420 187.7
[M+Na-2H]- 375.08502 180.4
[M]+ 354.10980 176.6
[M]- 354.11090 176.6
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.