CID 10457387

Ondelopran

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
C1COCCC1CCNCC2=CC(=C(C=C2)OC3=NC=C(C=C3)C(=O)N)F
InChI
InChI=1S/C20H24FN3O3/c21-17-11-15(12-23-8-5-14-6-9-26-10-7-14)1-3-18(17)27-19-4-2-16(13-24-19)20(22)25/h1-4,11,13-14,23H,5-10,12H2,(H2,22,25)
InChIKey
QWNDOCKIKKQJNN-UHFFFAOYSA-N
Compound name
6-[2-fluoro-4-[[2-(oxan-4-yl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

83
Patents

373.18018 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 191.6
[M+Na]+ 396.16940 201.9
[M+NH4]+ 391.21400 197.0
[M+K]+ 412.14334 195.4
[M-H]- 372.17290 197.0
[M+Na-2H]- 394.15485 197.5
[M]+ 373.17963 194.2
[M]- 373.18073 194.2
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