CID 6442389

Lanceolatin a

Structural Information

Molecular Formula
C21H20O4
SMILES
CC(C)(/C=C/C1=C(C=CC2=C1OC(=CC2=O)C3=CC=CC=C3)OC)O
InChI
InChI=1S/C21H20O4/c1-21(2,23)12-11-16-18(24-3)10-9-15-17(22)13-19(25-20(15)16)14-7-5-4-6-8-14/h4-13,23H,1-3H3/b12-11+
InChIKey
GWHQUBFEZSVTKH-VAWYXSNFSA-N
Compound name
8-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-methoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

336.13617 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 179.5
[M+Na]+ 359.12539 188.5
[M-H]- 335.12889 187.0
[M+NH4]+ 354.16999 192.5
[M+K]+ 375.09933 184.6
[M+H-H2O]+ 319.13343 171.5
[M+HCOO]- 381.13437 198.3
[M+CH3COO]- 395.15002 209.7
[M+Na-2H]- 357.11084 185.3
[M]+ 336.13562 183.8
[M]- 336.13672 183.8
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