CID 131750727

N-deisopropyl-fluvastatin

Structural Information

Molecular Formula
C21H20FNO4
SMILES
C1=CC=C2C(=C1)C(=C(N2)/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H20FNO4/c22-14-7-5-13(6-8-14)21-17-3-1-2-4-18(17)23-19(21)10-9-15(24)11-16(25)12-20(26)27/h1-10,15-16,23-25H,11-12H2,(H,26,27)/b10-9+/t15-,16-/m0/s1
InChIKey
POFAWBXODXSMNI-IGXNXKSNSA-N
Compound name
(E,3S,5R)-7-[3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

369.13763 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14491 186.5
[M+Na]+ 392.12685 192.3
[M-H]- 368.13035 186.4
[M+NH4]+ 387.17145 197.1
[M+K]+ 408.10079 185.4
[M+H-H2O]+ 352.13489 178.2
[M+HCOO]- 414.13583 200.1
[M+CH3COO]- 428.15148 208.4
[M+Na-2H]- 390.11230 184.5
[M]+ 369.13708 184.7
[M]- 369.13818 184.7
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