CID 16736978

Ku-0063794

Structural Information

Molecular Formula
C25H31N5O4
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=NC3=C(C=CC(=N3)C4=CC(=C(C=C4)OC)CO)C(=N2)N5CCOCC5
InChI
InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+
InChIKey
RFSMUFRPPYDYRD-CALCHBBNSA-N
Compound name
[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

62
References

585
Patents

465.2376 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.24488 220.2
[M+Na]+ 488.22682 235.7
[M+NH4]+ 483.27142 224.9
[M+K]+ 504.20076 228.7
[M-H]- 464.23032 228.0
[M+Na-2H]- 486.21227 224.9
[M]+ 465.23705 224.6
[M]- 465.23815 224.6
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