CID 453059

133698-98-3

Structural Information

Molecular Formula
C18H17N3O
SMILES
C1COCCN1C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4
InChI
InChI=1S/C18H17N3O/c1-2-6-15-14(5-1)18(21-9-11-22-12-10-21)13-17(20-15)16-7-3-4-8-19-16/h1-8,13H,9-12H2
InChIKey
FHGLROTYMYQNCC-UHFFFAOYSA-N
Compound name
4-(2-pyridin-2-ylquinolin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

291.13718 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 169.3
[M+Na]+ 314.12640 175.6
[M-H]- 290.12990 175.1
[M+NH4]+ 309.17100 179.0
[M+K]+ 330.10034 170.6
[M+H-H2O]+ 274.13444 156.9
[M+HCOO]- 336.13538 183.9
[M+CH3COO]- 350.15103 178.7
[M+Na-2H]- 312.11185 176.3
[M]+ 291.13663 165.3
[M]- 291.13773 165.3
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