CID 11989450

2-(5-chloro-2-fluoro-phenyl)-n4-(4-pyridyl)pyrido[2,3-d]pyrimidine-4,7-diamine

Structural Information

Molecular Formula
C18H12ClFN6
SMILES
C1=CC(=C(C=C1Cl)C2=NC3=C(C=CC(=N3)N)C(=N2)NC4=CC=NC=C4)F
InChI
InChI=1S/C18H12ClFN6/c19-10-1-3-14(20)13(9-10)18-25-16(23-11-5-7-22-8-6-11)12-2-4-15(21)24-17(12)26-18/h1-9H,(H3,21,22,23,24,25,26)
InChIKey
ZSFOXKBYAPSBMR-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-4-N-pyridin-4-ylpyrido[2,3-d]pyrimidine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0796 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08688 185.0
[M+Na]+ 389.06882 196.2
[M-H]- 365.07232 188.9
[M+NH4]+ 384.11342 192.7
[M+K]+ 405.04276 186.4
[M+H-H2O]+ 349.07686 171.9
[M+HCOO]- 411.07780 198.9
[M+CH3COO]- 425.09345 193.9
[M+Na-2H]- 387.05427 192.1
[M]+ 366.07905 184.5
[M]- 366.08015 184.5
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.