CID 11989445

2-(5-chloro-2-fluoro-phenyl)-n-(3-methylsulfanyl-4-pyridyl)pyrido[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C19H13ClFN5S
SMILES
CSC1=C(C=CN=C1)NC2=NC(=NC3=C2C=CC=N3)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C19H13ClFN5S/c1-27-16-10-22-8-6-15(16)24-18-12-3-2-7-23-17(12)25-19(26-18)13-9-11(20)4-5-14(13)21/h2-10H,1H3,(H,22,23,24,25,26)
InChIKey
GIXZQHRYUXQCFY-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanylpyridin-4-yl)pyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.05643 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.06371 188.4
[M+Na]+ 420.04565 200.5
[M-H]- 396.04915 192.7
[M+NH4]+ 415.09025 196.4
[M+K]+ 436.01959 190.2
[M+H-H2O]+ 380.05369 176.4
[M+HCOO]- 442.05463 197.0
[M+CH3COO]- 456.07028 197.4
[M+Na-2H]- 418.03110 193.0
[M]+ 397.05588 191.9
[M]- 397.05698 191.9
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

No patent data available for this compound.