CID 9840324

Etomoxir

Structural Information

Molecular Formula
C17H23ClO4
SMILES
CCOC(=O)[C@]1(CO1)CCCCCCOC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3/t17-/m1/s1
InChIKey
DZLOHEOHWICNIL-QGZVFWFLSA-N
Compound name
ethyl (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

286
References

4567
Patents

326.12848 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13576 172.9
[M+Na]+ 349.11770 180.9
[M-H]- 325.12120 180.3
[M+NH4]+ 344.16230 183.9
[M+K]+ 365.09164 178.5
[M+H-H2O]+ 309.12574 166.6
[M+HCOO]- 371.12668 189.6
[M+CH3COO]- 385.14233 207.7
[M+Na-2H]- 347.10315 177.2
[M]+ 326.12793 184.4
[M]- 326.12903 184.4
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

No patent data available for this compound.