CID 127031267

Cylindrofridin a

Structural Information

Molecular Formula
C20H31ClO4
SMILES
CCCCC(CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)Cl
InChI
InChI=1S/C20H31ClO4/c1-4-5-9-17(21)10-7-6-8-14(2)20(25-15(3)22)16-11-18(23)13-19(24)12-16/h11-14,17,20,23-24H,4-10H2,1-3H3/t14-,17?,20+/m0/s1
InChIKey
MONOMZXDURAAAV-BKCMZVEJSA-N
Compound name
[(1R,2S)-7-chloro-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.1911 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19838 190.2
[M+Na]+ 393.18032 193.8
[M-H]- 369.18382 189.9
[M+NH4]+ 388.22492 202.2
[M+K]+ 409.15426 189.3
[M+H-H2O]+ 353.18836 184.4
[M+HCOO]- 415.18930 200.8
[M+CH3COO]- 429.20495 215.2
[M+Na-2H]- 391.16577 185.1
[M]+ 370.19055 195.8
[M]- 370.19165 195.8
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

No patent data available for this compound.