CID 11545920

Kx2-361

Structural Information

Molecular Formula
C24H24FN3O2
SMILES
C1COCCN1C2=CC=C(C=C2)C3=CN=C(C=C3)CC(=O)NCC4=CC(=CC=C4)F
InChI
InChI=1S/C24H24FN3O2/c25-21-3-1-2-18(14-21)16-27-24(29)15-22-7-4-20(17-26-22)19-5-8-23(9-6-19)28-10-12-30-13-11-28/h1-9,14,17H,10-13,15-16H2,(H,27,29)
InChIKey
CMKKPJNMYLOUCE-UHFFFAOYSA-N
Compound name
N-[(3-fluorophenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)pyridin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

98
Patents

405.18524 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.19252 199.9
[M+Na]+ 428.17446 203.4
[M-H]- 404.17796 207.6
[M+NH4]+ 423.21906 204.6
[M+K]+ 444.14840 197.6
[M+H-H2O]+ 388.18250 185.7
[M+HCOO]- 450.18344 214.6
[M+CH3COO]- 464.19909 206.7
[M+Na-2H]- 426.15991 201.4
[M]+ 405.18469 194.9
[M]- 405.18579 194.9
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