CID 11100998

Gut-70

Structural Information

Molecular Formula
C23H26O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(=O)/C(=C/C)/C)OC
InChI
InChI=1S/C23H26O5/c1-7-9-14-12-16(24)27-22-17(14)21-15(10-11-23(4,5)28-21)20(26-6)18(22)19(25)13(3)8-2/h8,10-12H,7,9H2,1-6H3/b13-8+
InChIKey
RMUWCAYGHBNRQJ-MDWZMJQESA-N
Compound name
5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

382.178 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.18528 190.6
[M+Na]+ 405.16722 200.2
[M-H]- 381.17072 197.7
[M+NH4]+ 400.21182 204.6
[M+K]+ 421.14116 198.8
[M+H-H2O]+ 365.17526 183.2
[M+HCOO]- 427.17620 205.9
[M+CH3COO]- 441.19185 225.5
[M+Na-2H]- 403.15267 193.1
[M]+ 382.17745 199.1
[M]- 382.17855 199.1
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