CID 5375648

Wampetin

Structural Information

Molecular Formula
C21H18O6
SMILES
CC1=CC(OC1=O)C/C(=C\COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)/C
InChI
InChI=1S/C21H18O6/c1-12(9-16-10-13(2)21(23)26-16)5-7-25-20-18-15(6-8-24-18)11-14-3-4-17(22)27-19(14)20/h3-6,8,10-11,16H,7,9H2,1-2H3/b12-5-
InChIKey
XVVBVBKVMMNZHB-XGICHPGQSA-N
Compound name
9-[(Z)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

366.11035 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11763 184.1
[M+Na]+ 389.09957 194.9
[M-H]- 365.10307 196.0
[M+NH4]+ 384.14417 198.5
[M+K]+ 405.07351 194.0
[M+H-H2O]+ 349.10761 179.2
[M+HCOO]- 411.10855 204.8
[M+CH3COO]- 425.12420 216.0
[M+Na-2H]- 387.08502 186.3
[M]+ 366.10980 194.3
[M]- 366.11090 194.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe