CID 11989563

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

Structural Information

Molecular Formula
C19H14ClFN6
SMILES
CC1=C(C=CN=C1)NC2=NC(=NC3=C2C=CC(=N3)N)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C19H14ClFN6/c1-10-9-23-7-6-15(10)24-17-12-3-5-16(22)25-18(12)27-19(26-17)13-8-11(20)2-4-14(13)21/h2-9H,1H3,(H3,22,23,24,25,26,27)
InChIKey
STCURSJUDXTDRI-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-fluorophenyl)-4-N-(3-methylpyridin-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.09525 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10253 191.2
[M+Na]+ 403.08447 202.9
[M-H]- 379.08797 195.4
[M+NH4]+ 398.12907 198.7
[M+K]+ 419.05841 192.9
[M+H-H2O]+ 363.09251 178.1
[M+HCOO]- 425.09345 204.7
[M+CH3COO]- 439.10910 200.0
[M+Na-2H]- 401.06992 196.9
[M]+ 380.09470 191.5
[M]- 380.09580 191.5
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.