CID 3087379

2,6-bis(1,1-dimethylethyl)-4-(1-methyl-1h-pyrazolo(3,4-b)pyridin-3-yl)phenol

Structural Information

Molecular Formula
C21H27N3O
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN(C3=C2C=CC=N3)C
InChI
InChI=1S/C21H27N3O/c1-20(2,3)15-11-13(12-16(18(15)25)21(4,5)6)17-14-9-8-10-22-19(14)24(7)23-17/h8-12,25H,1-7H3
InChIKey
GRPIDIKDPXUHDH-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

337.21542 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 185.9
[M+Na]+ 360.20464 200.6
[M+NH4]+ 355.24924 192.5
[M+K]+ 376.17858 196.0
[M-H]- 336.20814 187.9
[M+Na-2H]- 358.19009 192.4
[M]+ 337.21487 188.8
[M]- 337.21597 188.8
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