CID 11855958

Schembl2210473

Structural Information

Molecular Formula
C20H14ClFN6O
SMILES
CNC(=O)C1=C(C=CN=C1)NC2=NC(=NC3=C2C=CC=N3)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C20H14ClFN6O/c1-23-20(29)14-10-24-8-6-16(14)26-18-12-3-2-7-25-17(12)27-19(28-18)13-9-11(21)4-5-15(13)22/h2-10H,1H3,(H,23,29)(H,24,25,26,27,28)
InChIKey
WKKSKFLPEORPIP-UHFFFAOYSA-N
Compound name
4-[[2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

408.09018 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09746 195.0
[M+Na]+ 431.07940 205.0
[M-H]- 407.08290 199.3
[M+NH4]+ 426.12400 201.1
[M+K]+ 447.05334 195.9
[M+H-H2O]+ 391.08744 181.5
[M+HCOO]- 453.08838 208.2
[M+CH3COO]- 467.10403 203.1
[M+Na-2H]- 429.06485 201.2
[M]+ 408.08963 196.2
[M]- 408.09073 196.2
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