CID 11524054

Schembl2491506

Structural Information

Molecular Formula
C19H12ClFN6O
SMILES
C1=CC2=C(N=C1)N=C(N=C2NC3=C(C=NC=C3)C(=O)N)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C19H12ClFN6O/c20-10-3-4-14(21)12(8-10)19-26-17-11(2-1-6-24-17)18(27-19)25-15-5-7-23-9-13(15)16(22)28/h1-9H,(H2,22,28)(H,23,24,25,26,27)
InChIKey
VYPXVWOUDIEQDG-UHFFFAOYSA-N
Compound name
4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

394.07452 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08180 190.7
[M+Na]+ 417.06374 201.2
[M-H]- 393.06724 194.7
[M+NH4]+ 412.10834 197.1
[M+K]+ 433.03768 192.0
[M+H-H2O]+ 377.07178 177.6
[M+HCOO]- 439.07272 203.7
[M+CH3COO]- 453.08837 199.1
[M+Na-2H]- 415.04919 196.5
[M]+ 394.07397 190.8
[M]- 394.07507 190.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe