CID 138674748

2311863-20-2

Structural Information

Molecular Formula
C23H24FN5O4
SMILES
COC1=CC(=NC=C1OC2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=CN=C(C=C4OC)N
InChI
InChI=1S/C23H24FN5O4/c1-31-19-12-22(25)27-13-18(19)28-7-9-29(10-8-28)23(30)17-11-20(32-2)21(14-26-17)33-16-5-3-15(24)4-6-16/h3-6,11-14H,7-10H2,1-2H3,(H2,25,27)
InChIKey
OEOSTMIGRJCBNK-UHFFFAOYSA-N
Compound name
[4-(6-amino-4-methoxypyridin-3-yl)piperazin-1-yl]-[5-(4-fluorophenoxy)-4-methoxypyridin-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

453.18124 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.18852 210.7
[M+Na]+ 476.17046 223.9
[M+NH4]+ 471.21506 214.2
[M+K]+ 492.14440 217.8
[M-H]- 452.17396 214.7
[M+Na-2H]- 474.15591 218.1
[M]+ 453.18069 213.4
[M]- 453.18179 213.4
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

patents stripe