CID 11989449

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

Structural Information

Molecular Formula
C26H19ClF2N6O
SMILES
COC1=CC=C(C=C1)CNC2=NC3=C(C=C2)C(=NC(=N3)C4=C(C=CC(=C4)Cl)F)NC5=C(C=NC=C5)F
InChI
InChI=1S/C26H19ClF2N6O/c1-36-17-5-2-15(3-6-17)13-31-23-9-7-18-24(32-22-10-11-30-14-21(22)29)34-26(35-25(18)33-23)19-12-16(27)4-8-20(19)28/h2-12,14H,13H2,1H3,(H2,30,31,32,33,34,35)
InChIKey
XHSODBQAOOIABA-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoropyridin-4-yl)-7-N-[(4-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.1277 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.13498 221.4
[M+Na]+ 527.11692 231.4
[M-H]- 503.12042 227.0
[M+NH4]+ 522.16152 223.2
[M+K]+ 543.09086 220.4
[M+H-H2O]+ 487.12496 204.6
[M+HCOO]- 549.12590 232.9
[M+CH3COO]- 563.14155 227.5
[M+Na-2H]- 525.10237 225.6
[M]+ 504.12715 223.0
[M]- 504.12825 223.0
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.