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
3
Annotation Hits

1
References

38
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 191.1
[M+Na]+ 409.13702 195.6
[M-H]- 385.14052 195.5
[M+NH4]+ 404.18162 196.3
[M+K]+ 425.11096 192.5
[M+H-H2O]+ 369.14506 180.1
[M+HCOO]- 431.14600 204.2
[M+CH3COO]- 445.16165 214.3
[M+Na-2H]- 407.12247 191.5
[M]+ 386.14725 191.2
[M]- 386.14835 191.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.