CID 11989448

2-(5-chloro-2-fluoro-phenyl)-n4-(3-fluoro-4-pyridyl)-n7-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-4,7-diamine

Structural Information

Molecular Formula
C21H17ClF2N6O
SMILES
COCCNC1=NC2=C(C=C1)C(=NC(=N2)C3=C(C=CC(=C3)Cl)F)NC4=C(C=NC=C4)F
InChI
InChI=1S/C21H17ClF2N6O/c1-31-9-8-26-18-5-3-13-19(27-17-6-7-25-11-16(17)24)29-21(30-20(13)28-18)14-10-12(22)2-4-15(14)23/h2-7,10-11H,8-9H2,1H3,(H2,25,26,27,28,29,30)
InChIKey
BFXOPPRVNUXQOP-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-4-N-(3-fluoropyridin-4-yl)-7-N-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.11203 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.11931 203.7
[M+Na]+ 465.10125 214.1
[M-H]- 441.10475 206.6
[M+NH4]+ 460.14585 208.7
[M+K]+ 481.07519 204.4
[M+H-H2O]+ 425.10929 188.8
[M+HCOO]- 487.11023 216.2
[M+CH3COO]- 501.12588 211.1
[M+Na-2H]- 463.08670 208.9
[M]+ 442.11148 205.9
[M]- 442.11258 205.9
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.