CID 16123056

Voxtalisib

Structural Information

Molecular Formula
C13H14N6O
SMILES
CCN1C2=NC(=NC(=C2C=C(C1=O)C3=CC=NN3)C)N
InChI
InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)
InChIKey
RGHYDLZMTYDBDT-UHFFFAOYSA-N
Compound name
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

37
References

3519
Patents

270.1229 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13018 161.8
[M+Na]+ 293.11212 176.9
[M+NH4]+ 288.15672 167.5
[M+K]+ 309.08606 172.8
[M-H]- 269.11562 163.3
[M+Na-2H]- 291.09757 168.6
[M]+ 270.12235 164.2
[M]- 270.12345 164.2
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