CID 58507717

Bimiralisib

Structural Information

Molecular Formula
C17H20F3N7O2
SMILES
C1COCCN1C2=NC(=NC(=N2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4
InChI
InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
InChIKey
ADGGYDAFIHSYFI-UHFFFAOYSA-N
Compound name
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

2264
Patents

411.16306 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17034 204.1
[M+Na]+ 434.15228 209.7
[M-H]- 410.15578 204.7
[M+NH4]+ 429.19688 201.9
[M+K]+ 450.12622 204.0
[M+H-H2O]+ 394.16032 186.8
[M+HCOO]- 456.16126 206.8
[M+CH3COO]- 470.17691 208.1
[M+Na-2H]- 432.13773 204.7
[M]+ 411.16251 193.7
[M]- 411.16361 193.7
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.