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
2
Annotation Hits

5
References

616
Patents

253.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 160.4
[M+Na]+ 276.15702 165.3
[M-H]- 252.16052 163.6
[M+NH4]+ 271.20162 179.1
[M+K]+ 292.13096 162.8
[M+H-H2O]+ 236.16506 154.5
[M+HCOO]- 298.16600 175.5
[M+CH3COO]- 312.18165 191.6
[M+Na-2H]- 274.14247 158.7
[M]+ 253.16725 155.4
[M]- 253.16835 155.4
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