CID 6433797

Karatavic acid

Structural Information

Molecular Formula
C24H28O5
SMILES
C/C/1=C/CCC(=C)CCC(C(CC1)OC2=CC3=C(C=C2)C=CC(=O)O3)(C)C(=O)O
InChI
InChI=1S/C24H28O5/c1-16-5-4-6-17(2)13-14-24(3,23(26)27)21(11-7-16)28-19-10-8-18-9-12-22(25)29-20(18)15-19/h5,8-10,12,15,21H,2,4,6-7,11,13-14H2,1,3H3,(H,26,27)/b16-5-
InChIKey
WNKJSJGQYFLQJT-BNCCVWRVSA-N
Compound name
(5Z)-1,5-dimethyl-9-methylidene-2-(2-oxochromen-7-yl)oxycycloundec-5-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.19366 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20094 190.1
[M+Na]+ 419.18288 202.7
[M+NH4]+ 414.22748 196.8
[M+K]+ 435.15682 194.3
[M-H]- 395.18638 194.9
[M+Na-2H]- 417.16833 196.2
[M]+ 396.19311 193.1
[M]- 396.19421 193.1
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

No patent data available for this compound.