CID 446156

Cerivastatin

Structural Information

Molecular Formula
C26H34FNO5
SMILES
CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O
InChI
InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
InChIKey
SEERZIQQUAZTOL-ANMDKAQQSA-N
Compound name
(E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]-3,5-dihydroxyhept-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

588
References

51238
Patents

459.2421 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.24938 212.6
[M+Na]+ 482.23132 215.7
[M-H]- 458.23482 211.9
[M+NH4]+ 477.27592 217.7
[M+K]+ 498.20526 211.4
[M+H-H2O]+ 442.23936 203.0
[M+HCOO]- 504.24030 222.3
[M+CH3COO]- 518.25595 234.6
[M+Na-2H]- 480.21677 203.4
[M]+ 459.24155 214.4
[M]- 459.24265 214.4
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.