CID 70914230

Navoximod

Structural Information

Molecular Formula
C18H21FN2O2
SMILES
C1CC(CCC1[C@@H](C[C@H]2C3=C(C=CC=C3F)C4=CN=CN24)O)O
InChI
InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11?,12?,15-,17+/m0/s1
InChIKey
YGACXVRLDHEXKY-LHPNLFKDSA-N
Compound name
4-[(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

2357
Patents

316.1587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16598 175.5
[M+Na]+ 339.14792 185.2
[M+NH4]+ 334.19252 182.7
[M+K]+ 355.12186 182.7
[M-H]- 315.15142 176.1
[M+Na-2H]- 337.13337 177.3
[M]+ 316.15815 176.7
[M]- 316.15925 176.7
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