CID 25098114

Chembl466883

Structural Information

Molecular Formula
C23H19Cl3N4
SMILES
CC(C)(C)C1=NC2=NC(=C(C=C2C(=N1)N)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H19Cl3N4/c1-23(2,3)22-29-20(27)17-11-16(12-4-6-13(24)7-5-12)19(28-21(17)30-22)15-9-8-14(25)10-18(15)26/h4-11H,1-3H3,(H2,27,28,29,30)
InChIKey
QVFUKBUINZLPLW-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

456.06754 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.07482 209.7
[M+Na]+ 479.05676 221.3
[M-H]- 455.06026 214.0
[M+NH4]+ 474.10136 216.9
[M+K]+ 495.03070 211.7
[M+H-H2O]+ 439.06480 198.5
[M+HCOO]- 501.06574 211.0
[M+CH3COO]- 515.08139 217.0
[M+Na-2H]- 477.04221 210.8
[M]+ 456.06699 213.7
[M]- 456.06809 213.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe