CID 118981804

Amdizalisib

Structural Information

Molecular Formula
C19H15ClN8
SMILES
C[C@@H](C1=CC2=NC=C(N2N=C1C3=CC=CC=C3)Cl)NC4=NC=NC(=C4C#N)N
InChI
InChI=1S/C19H15ClN8/c1-11(26-19-14(8-21)18(22)24-10-25-19)13-7-16-23-9-15(20)28(16)27-17(13)12-5-3-2-4-6-12/h2-7,9-11H,1H3,(H3,22,24,25,26)/t11-/m0/s1
InChIKey
WKDBRCUUDXLTIM-NSHDSACASA-N
Compound name
4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

530
Patents

390.1108 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.11808 192.2
[M+Na]+ 413.10002 203.5
[M-H]- 389.10352 193.1
[M+NH4]+ 408.14462 197.5
[M+K]+ 429.07396 193.5
[M+H-H2O]+ 373.10806 172.8
[M+HCOO]- 435.10900 202.6
[M+CH3COO]- 449.12465 198.5
[M+Na-2H]- 411.08547 194.7
[M]+ 390.11025 188.4
[M]- 390.11135 188.4
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