CID 11989671

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

Structural Information

Molecular Formula
C19H13ClFN5O
SMILES
COC1=C(C=CN=C1)NC2=NC(=NC3=C2C=CC=N3)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C19H13ClFN5O/c1-27-16-10-22-8-6-15(16)24-18-12-3-2-7-23-17(12)25-19(26-18)13-9-11(20)4-5-14(13)21/h2-10H,1H3,(H,22,23,24,25,26)
InChIKey
IMQQLGUGIZRSIP-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-N-(3-methoxypyridin-4-yl)pyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.07925 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08653 188.9
[M+Na]+ 404.06847 200.2
[M-H]- 380.07197 193.0
[M+NH4]+ 399.11307 196.4
[M+K]+ 420.04241 191.1
[M+H-H2O]+ 364.07651 175.2
[M+HCOO]- 426.07745 202.0
[M+CH3COO]- 440.09310 197.9
[M+Na-2H]- 402.05392 195.6
[M]+ 381.07870 191.4
[M]- 381.07980 191.4
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.