CID 3087377

3-(3,5-di-tertiary-butyl-4-hydroxyphenyl)-1-(2'-propionyloxyethyl)-1h-pyrazolo(3,4-b)pyridine

Structural Information

Molecular Formula
C25H33N3O3
SMILES
CCC(=O)OCCN1C2=C(C=CC=N2)C(=N1)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C25H33N3O3/c1-8-20(29)31-13-12-28-23-17(10-9-11-26-23)21(27-28)16-14-18(24(2,3)4)22(30)19(15-16)25(5,6)7/h9-11,14-15,30H,8,12-13H2,1-7H3
InChIKey
AOBRSYHNHQXZMJ-UHFFFAOYSA-N
Compound name
2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]ethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

423.2522 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.25948 207.5
[M+Na]+ 446.24142 220.0
[M+NH4]+ 441.28602 211.8
[M+K]+ 462.21536 216.4
[M-H]- 422.24492 207.9
[M+Na-2H]- 444.22687 211.8
[M]+ 423.25165 209.5
[M]- 423.25275 209.5
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

patents stripe