CID 480857

1-[3-acetyl-4-[(3r)-8,8-dimethyl-3,4-dihydro-2h-pyrano[2,3-f]chromen-3-yl]phenyl]ethanone

Structural Information

Molecular Formula
C24H24O4
SMILES
CC(=O)C1=CC(=C(C=C1)[C@H]2CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)C(=O)C
InChI
InChI=1S/C24H24O4/c1-14(25)16-5-7-19(21(12-16)15(2)26)18-11-17-6-8-22-20(23(17)27-13-18)9-10-24(3,4)28-22/h5-10,12,18H,11,13H2,1-4H3/t18-/m0/s1
InChIKey
NIFWBYRCAGZZGK-SFHVURJKSA-N
Compound name
1-[3-acetyl-4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.16745 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17473 191.0
[M+Na]+ 399.15667 198.3
[M-H]- 375.16017 200.3
[M+NH4]+ 394.20127 204.0
[M+K]+ 415.13061 196.5
[M+H-H2O]+ 359.16471 181.9
[M+HCOO]- 421.16565 203.9
[M+CH3COO]- 435.18130 200.9
[M+Na-2H]- 397.14212 193.3
[M]+ 376.16690 193.0
[M]- 376.16800 193.0
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

No patent data available for this compound.