CID 12312999

Munetone

Structural Information

Molecular Formula
C26H24O5
SMILES
CC1(C=CC2=CC3=C(C=C2O1)OC=C(C3=O)C4=C(C5=C(C=C4)OC(C=C5)(C)C)OC)C
InChI
InChI=1S/C26H24O5/c1-25(2)10-8-15-12-18-22(13-21(15)31-25)29-14-19(23(18)27)16-6-7-20-17(24(16)28-5)9-11-26(3,4)30-20/h6-14H,1-5H3
InChIKey
JANOATQYNVFIDV-UHFFFAOYSA-N
Compound name
7-(5-methoxy-2,2-dimethylchromen-6-yl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

416.16238 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.16966 201.6
[M+Na]+ 439.15160 213.5
[M-H]- 415.15510 213.7
[M+NH4]+ 434.19620 215.1
[M+K]+ 455.12554 212.7
[M+H-H2O]+ 399.15964 190.2
[M+HCOO]- 461.16058 215.5
[M+CH3COO]- 475.17623 212.6
[M+Na-2H]- 437.13705 208.4
[M]+ 416.16183 209.2
[M]- 416.16293 209.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe