CID 11989320

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

Structural Information

Molecular Formula
C18H11ClF2N6
SMILES
C1=CC(=C(C=C1Cl)C2=NC3=C(C=CC(=N3)N)C(=N2)NC4=C(C=NC=C4)F)F
InChI
InChI=1S/C18H11ClF2N6/c19-9-1-3-12(20)11(7-9)18-26-16(24-14-5-6-23-8-13(14)21)10-2-4-15(22)25-17(10)27-18/h1-8H,(H3,22,23,24,25,26,27)
InChIKey
IRCACVAPOWBNTI-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoropyridin-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0702 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.07748 189.1
[M+Na]+ 407.05942 201.3
[M-H]- 383.06292 192.0
[M+NH4]+ 402.10402 196.4
[M+K]+ 423.03336 191.0
[M+H-H2O]+ 367.06746 175.2
[M+HCOO]- 429.06840 201.9
[M+CH3COO]- 443.08405 197.7
[M+Na-2H]- 405.04487 194.7
[M]+ 384.06965 188.2
[M]- 384.07075 188.2
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.