CID 29918986

Rosuvastatin lactone

Structural Information

Molecular Formula
C22H26FN3O5S
SMILES
CC(C)C1=NC(=NC(=C1/C=C/[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C
InChI
InChI=1S/C22H26FN3O5S/c1-13(2)20-18(10-9-17-11-16(27)12-19(28)31-17)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)32(4,29)30/h5-10,13,16-17,27H,11-12H2,1-4H3/b10-9+/t16-,17-/m1/s1
InChIKey
SOEGVMSNJOCVHT-VEUZHWNKSA-N
Compound name
N-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

225
Patents

463.1577 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.16498 209.3
[M+Na]+ 486.14692 219.3
[M+NH4]+ 481.19152 212.1
[M+K]+ 502.12086 213.7
[M-H]- 462.15042 211.6
[M+Na-2H]- 484.13237 212.7
[M]+ 463.15715 211.5
[M]- 463.15825 211.5
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