CID 11989325

2-(5-chloro-2-fluoro-phenyl)-n-(3-iodo-4-pyridyl)pyrido[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C18H10ClFIN5
SMILES
C1=CC2=C(N=C1)N=C(N=C2NC3=C(C=NC=C3)I)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C18H10ClFIN5/c19-10-3-4-13(20)12(8-10)18-25-16-11(2-1-6-23-16)17(26-18)24-15-5-7-22-9-14(15)21/h1-9H,(H,22,23,24,25,26)
InChIKey
GBWBXDGSWAVMRI-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-N-(3-iodopyridin-4-yl)pyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.96536 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.97264 181.8
[M+Na]+ 499.95458 186.2
[M-H]- 475.95808 178.4
[M+NH4]+ 494.99918 185.5
[M+K]+ 515.92852 182.7
[M+H-H2O]+ 459.96262 165.2
[M+HCOO]- 521.96356 190.5
[M+CH3COO]- 535.97921 187.1
[M+Na-2H]- 497.94003 178.3
[M]+ 476.96481 180.0
[M]- 476.96591 180.0
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.