CID 90456533

Lxh254

Structural Information

Molecular Formula
C25H25F3N4O4
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)C(F)(F)F)C3=CC(=NC(=C3)OCCO)N4CCOCC4
InChI
InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)
InChIKey
UEPXBTCUIIGYCY-UHFFFAOYSA-N
Compound name
N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

1425
Patents

502.1828 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.19008 222.1
[M+Na]+ 525.17202 226.6
[M-H]- 501.17552 225.5
[M+NH4]+ 520.21662 221.2
[M+K]+ 541.14596 220.9
[M+H-H2O]+ 485.18006 206.0
[M+HCOO]- 547.18100 230.1
[M+CH3COO]- 561.19665 240.4
[M+Na-2H]- 523.15747 221.5
[M]+ 502.18225 217.3
[M]- 502.18335 217.3
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.