CID 146567655

Osivelotor

Structural Information

Molecular Formula
C20H22N2O6
SMILES
C1COC[C@H](N1C(=O)C2=C(N=CC=C2)CCO)COC3=CC=CC(=C3C=O)O
InChI
InChI=1S/C20H22N2O6/c23-9-6-17-15(3-2-7-21-17)20(26)22-8-10-27-12-14(22)13-28-19-5-1-4-18(25)16(19)11-24/h1-5,7,11,14,23,25H,6,8-10,12-13H2/t14-/m0/s1
InChIKey
NIWBSQAKKNNWBT-AWEZNQCLSA-N
Compound name
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

52
Patents

386.1478 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15508 191.9
[M+Na]+ 409.13702 203.9
[M+NH4]+ 404.18162 195.8
[M+K]+ 425.11096 199.0
[M-H]- 385.14052 195.3
[M+Na-2H]- 407.12247 196.6
[M]+ 386.14725 194.2
[M]- 386.14835 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