CID 11989446

Schembl2394051

Structural Information

Molecular Formula
C18H11ClFN5
SMILES
C1=CC2=C(N=C1)N=C(N=C2NC3=CC=NC=C3)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C18H11ClFN5/c19-11-3-4-15(20)14(10-11)18-24-16-13(2-1-7-22-16)17(25-18)23-12-5-8-21-9-6-12/h1-10H,(H,21,22,23,24,25)
InChIKey
ZDBFFKQUVNYUNK-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

351.0687 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.07598 180.5
[M+Na]+ 374.05792 191.5
[M-H]- 350.06142 184.3
[M+NH4]+ 369.10252 189.0
[M+K]+ 390.03186 181.9
[M+H-H2O]+ 334.06596 167.0
[M+HCOO]- 396.06690 193.8
[M+CH3COO]- 410.08255 189.8
[M+Na-2H]- 372.04337 188.5
[M]+ 351.06815 180.9
[M]- 351.06925 180.9
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