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

2461
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

literature stripe

Patent stripe

patents stripe