CID 11856229

Schembl14564461

Structural Information

Molecular Formula
C20H13ClFN5O2
SMILES
COC(=O)C1=C(C=CN=C1)NC2=NC(=NC3=C2C=CC=N3)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C20H13ClFN5O2/c1-29-20(28)14-10-23-8-6-16(14)25-18-12-3-2-7-24-17(12)26-19(27-18)13-9-11(21)4-5-15(13)22/h2-10H,1H3,(H,23,24,25,26,27)
InChIKey
SFTXPYTYRKYOES-UHFFFAOYSA-N
Compound name
methyl 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

409.0742 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08148 194.7
[M+Na]+ 432.06342 205.2
[M-H]- 408.06692 198.9
[M+NH4]+ 427.10802 200.8
[M+K]+ 448.03736 196.8
[M+H-H2O]+ 392.07146 181.0
[M+HCOO]- 454.07240 206.9
[M+CH3COO]- 468.08805 203.1
[M+Na-2H]- 430.04887 200.0
[M]+ 409.07365 197.6
[M]- 409.07475 197.6
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