CID 121249291

Ly3200882

Structural Information

Molecular Formula
C24H29N5O3
SMILES
CC(C)(C1=NC=CC(=C1)NC2=NC=CC(=C2)OC3=CN(N=C3C4CCOCC4)C5CC5)O
InChI
InChI=1S/C24H29N5O3/c1-24(2,30)21-13-17(5-9-25-21)27-22-14-19(6-10-26-22)32-20-15-29(18-3-4-18)28-23(20)16-7-11-31-12-8-16/h5-6,9-10,13-16,18,30H,3-4,7-8,11-12H2,1-2H3,(H,25,26,27)
InChIKey
PNPFMWIDAKQFPY-UHFFFAOYSA-N
Compound name
2-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

40
Patents

435.22705 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.23433 207.3
[M+Na]+ 458.21627 213.0
[M-H]- 434.21977 216.6
[M+NH4]+ 453.26087 205.7
[M+K]+ 474.19021 207.1
[M+H-H2O]+ 418.22431 195.8
[M+HCOO]- 480.22525 220.2
[M+CH3COO]- 494.24090 213.4
[M+Na-2H]- 456.20172 207.8
[M]+ 435.22650 207.2
[M]- 435.22760 207.2
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.