CID 25262965

Azd8055

Structural Information

Molecular Formula
C25H31N5O4
SMILES
C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOC[C@@H]5C
InChI
InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1
InChIKey
KVLFRAWTRWDEDF-IRXDYDNUSA-N
Compound name
[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

172
References

5229
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 223.5
[M+Na]+ 488.22682 228.5
[M-H]- 464.23032 228.9
[M+NH4]+ 483.27142 221.3
[M+K]+ 504.20076 223.5
[M+H-H2O]+ 448.23486 207.6
[M+HCOO]- 510.23580 227.3
[M+CH3COO]- 524.25145 227.5
[M+Na-2H]- 486.21227 221.3
[M]+ 465.23705 220.6
[M]- 465.23815 220.6
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.