CID 2999413

Zeranol

Structural Information

Molecular Formula
C18H26O5
SMILES
C[C@H]1CCC[C@@H](CCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1)O
InChI
InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1
InChIKey
DWTTZBARDOXEAM-GXTWGEPZSA-N
Compound name
(4S,8R)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

610
References

2048
Patents

322.178 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18528 171.3
[M+Na]+ 345.16722 181.1
[M+NH4]+ 340.21182 176.6
[M+K]+ 361.14116 176.5
[M-H]- 321.17072 173.9
[M+Na-2H]- 343.15267 173.2
[M]+ 322.17745 172.8
[M]- 322.17855 172.8
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

patents stripe