CID 10473105

Plakorsin b

Structural Information

Molecular Formula
C22H38O3
SMILES
CCCCCCCCCCCCCCCCC1=CC=C(O1)CC(=O)O
InChI
InChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(25-20)19-22(23)24/h17-18H,2-16,19H2,1H3,(H,23,24)
InChIKey
MYKNDMTYMCTYAG-UHFFFAOYSA-N
Compound name
2-(5-hexadecylfuran-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.2821 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.28938 195.8
[M+Na]+ 373.27132 198.0
[M-H]- 349.27482 196.4
[M+NH4]+ 368.31592 208.7
[M+K]+ 389.24526 194.3
[M+H-H2O]+ 333.27936 188.3
[M+HCOO]- 395.28030 214.0
[M+CH3COO]- 409.29595 214.8
[M+Na-2H]- 371.25677 193.2
[M]+ 350.28155 203.1
[M]- 350.28265 203.1
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.