CID 496085

Nsc678322

Structural Information

Molecular Formula
C21H18O5
SMILES
CC1C(OC2=CC(=C3C(=CC(=O)OC3=C2C1=O)C4=CC=CC=C4)OC)C
InChI
InChI=1S/C21H18O5/c1-11-12(2)25-16-10-15(24-3)18-14(13-7-5-4-6-8-13)9-17(22)26-21(18)19(16)20(11)23/h4-12H,1-3H3
InChIKey
ZHUNTOKTWVMDCS-UHFFFAOYSA-N
Compound name
5-methoxy-8,9-dimethyl-4-phenyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.11542 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12270 180.9
[M+Na]+ 373.10464 191.7
[M-H]- 349.10814 191.7
[M+NH4]+ 368.14924 193.8
[M+K]+ 389.07858 189.9
[M+H-H2O]+ 333.11268 171.8
[M+HCOO]- 395.11362 198.5
[M+CH3COO]- 409.12927 193.0
[M+Na-2H]- 371.09009 185.6
[M]+ 350.11487 186.5
[M]- 350.11597 186.5
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.