CID 11989447

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

Structural Information

Molecular Formula
C26H20ClFN6O
SMILES
COC1=CC=C(C=C1)CNC2=NC3=C(C=C2)C(=NC(=N3)C4=C(C=CC(=C4)Cl)F)NC5=CC=NC=C5
InChI
InChI=1S/C26H20ClFN6O/c1-35-19-5-2-16(3-6-19)15-30-23-9-7-20-24(31-18-10-12-29-13-11-18)33-26(34-25(20)32-23)21-14-17(27)4-8-22(21)28/h2-14H,15H2,1H3,(H2,29,30,31,32,33,34)
InChIKey
GLIDAYHMFHNPJW-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-7-N-[(4-methoxyphenyl)methyl]-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

486.13712 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14440 216.9
[M+Na]+ 509.12634 225.9
[M-H]- 485.12984 223.4
[M+NH4]+ 504.17094 219.1
[M+K]+ 525.10028 215.3
[M+H-H2O]+ 469.13438 200.8
[M+HCOO]- 531.13532 229.4
[M+CH3COO]- 545.15097 223.2
[M+Na-2H]- 507.11179 222.5
[M]+ 486.13657 218.8
[M]- 486.13767 218.8
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.