CID 11856490

Schembl14564462

Structural Information

Molecular Formula
C21H15ClFN5O2
SMILES
CCOC(=O)C1=C(C=CN=C1)NC2=NC(=NC3=C2C=CC=N3)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C21H15ClFN5O2/c1-2-30-21(29)15-11-24-9-7-17(15)26-19-13-4-3-8-25-18(13)27-20(28-19)14-10-12(22)5-6-16(14)23/h3-11H,2H2,1H3,(H,24,25,26,27,28)
InChIKey
DEWRJGGSNSNZNH-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

423.08984 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09712 199.0
[M+Na]+ 446.07906 209.0
[M-H]- 422.08256 203.1
[M+NH4]+ 441.12366 204.5
[M+K]+ 462.05300 200.5
[M+H-H2O]+ 406.08710 185.1
[M+HCOO]- 468.08804 210.8
[M+CH3COO]- 482.10369 206.9
[M+Na-2H]- 444.06451 203.8
[M]+ 423.08929 202.2
[M]- 423.09039 202.2
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

patents stripe