CID 11989560

2-(5-chloro-2-fluoro-phenyl)-n7-[2-(1-piperidyl)ethyl]-n4-(4-pyridyl)pyrido[2,3-d]pyrimidine-4,7-diamine

Structural Information

Molecular Formula
C25H25ClFN7
SMILES
C1CCN(CC1)CCNC2=NC3=C(C=C2)C(=NC(=N3)C4=C(C=CC(=C4)Cl)F)NC5=CC=NC=C5
InChI
InChI=1S/C25H25ClFN7/c26-17-4-6-21(27)20(16-17)25-32-23(30-18-8-10-28-11-9-18)19-5-7-22(31-24(19)33-25)29-12-15-34-13-2-1-3-14-34/h4-11,16H,1-3,12-15H2,(H2,28,29,30,31,32,33)
InChIKey
SIIHZQCJALMRBR-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-7-N-(2-piperidin-1-ylethyl)-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.1844 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.19168 214.0
[M+Na]+ 500.17362 219.9
[M-H]- 476.17712 217.7
[M+NH4]+ 495.21822 214.9
[M+K]+ 516.14756 208.8
[M+H-H2O]+ 460.18166 197.1
[M+HCOO]- 522.18260 221.4
[M+CH3COO]- 536.19825 218.4
[M+Na-2H]- 498.15907 218.0
[M]+ 477.18385 210.2
[M]- 477.18495 210.2
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.