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[5,4-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]+ 338.222696 188.7
[M+Na]+ 360.204638 199.5
[M-H]- 336.208144 192.7
[M+NH4]+ 355.249243 201.8
[M+K]+ 376.178578 193.6
[M+H-H2O]+ 320.212680 180.6
[M+HCOO]- 382.213621 204.0
[M+CH3COO]- 396.229271 213.2
[M+Na-2H]- 358.190086 191.9
[M]+ 337.21487142 193.0
[M]- 337.21596858 193.0
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