CID 11989561

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

Structural Information

Molecular Formula
C25H26ClN7
SMILES
C1CCN(CC1)CCNC2=NC3=C(C=C2)C(=NC(=N3)C4=CC(=CC=C4)Cl)NC5=CC=NC=C5
InChI
InChI=1S/C25H26ClN7/c26-19-6-4-5-18(17-19)23-31-24(29-20-9-11-27-12-10-20)21-7-8-22(30-25(21)32-23)28-13-16-33-14-2-1-3-15-33/h4-12,17H,1-3,13-16H2,(H2,27,28,29,30,31,32)
InChIKey
YICHSJCYDDKYOZ-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-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

459.19382 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.20110 209.2
[M+Na]+ 482.18304 214.1
[M-H]- 458.18654 213.8
[M+NH4]+ 477.22764 210.6
[M+K]+ 498.15698 203.5
[M+H-H2O]+ 442.19108 193.1
[M+HCOO]- 504.19202 217.6
[M+CH3COO]- 518.20767 213.9
[M+Na-2H]- 480.16849 214.7
[M]+ 459.19327 205.8
[M]- 459.19437 205.8
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.