CID 22845140

Crilvastatin

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CC1CC(CC(C1)(C)C)OC(=O)[C@@H]2CCC(=O)N2

InChI

InChI=1S/C14H23NO3/c1-9-6-10(8-14(2,3)7-9)18-13(17)11-4-5-12(16)15-11/h9-11H,4-8H2,1-3H3,(H,15,16)/t9?,10?,11-/m0/s1

InChIKey

FXAAOALUHHXBSO-ILDUYXDCSA-N

Compound name

(3,3,5-trimethylcyclohexyl) (2S)-5-oxopyrrolidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 1010
Patents: 253.1678 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.175076	160.4
[M+Na]+	276.157018	165.3
[M-H]-	252.160524	163.6
[M+NH4]+	271.201623	179.1
[M+K]+	292.130958	162.8
[M+H-H2O]+	236.165060	154.5
[M+HCOO]-	298.166001	175.5
[M+CH3COO]-	312.181651	191.6
[M+Na-2H]-	274.142466	158.7
[M]+	253.16725142	155.4
[M]-	253.16834858	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe