CID 388673

Nsc683691

Structural Information

Molecular Formula
C26H26O4
SMILES
CC(=CCC1=CC=C(C=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)OC)C
InChI
InChI=1S/C26H26O4/c1-16(2)6-7-17-8-10-18(11-9-17)20-15-29-22-14-21-19(12-13-26(3,4)30-21)25(28-5)23(22)24(20)27/h6,8-15H,7H2,1-5H3
InChIKey
MBKOHMUWTSBESL-UHFFFAOYSA-N
Compound name
5-methoxy-2,2-dimethyl-7-[4-(3-methylbut-2-enyl)phenyl]pyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1831 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.19038 200.1
[M+Na]+ 425.17232 209.8
[M-H]- 401.17582 210.3
[M+NH4]+ 420.21692 212.7
[M+K]+ 441.14626 206.9
[M+H-H2O]+ 385.18036 190.3
[M+HCOO]- 447.18130 216.2
[M+CH3COO]- 461.19695 228.0
[M+Na-2H]- 423.15777 203.5
[M]+ 402.18255 206.4
[M]- 402.18365 206.4
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.