CID 51001932

Taselisib

Structural Information

Molecular Formula
C24H28N8O2
SMILES
CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C
InChI
InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)
InChIKey
BEUQXVWXFDOSAQ-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

51
References

4995
Patents

460.23352 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.24080 213.4
[M+Na]+ 483.22274 222.9
[M-H]- 459.22624 221.5
[M+NH4]+ 478.26734 218.4
[M+K]+ 499.19668 221.3
[M+H-H2O]+ 443.23078 201.1
[M+HCOO]- 505.23172 224.7
[M+CH3COO]- 519.24737 220.8
[M+Na-2H]- 481.20819 209.2
[M]+ 460.23297 215.8
[M]- 460.23407 215.8
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.