CID 56961050

Schembl10086807

Structural Information

Molecular Formula
C21H23F2N3O3
SMILES
CC(C)(C)C1=C(C=C(C=C1F)OCCNC(=O)C2=C3C=CC=C(N3N=C2)CO)F
InChI
InChI=1S/C21H23F2N3O3/c1-21(2,3)19-16(22)9-14(10-17(19)23)29-8-7-24-20(28)15-11-25-26-13(12-27)5-4-6-18(15)26/h4-6,9-11,27H,7-8,12H2,1-3H3,(H,24,28)
InChIKey
SNBOLRWYZPETPJ-UHFFFAOYSA-N
Compound name
N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]-7-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

403.17075 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17803 197.0
[M+Na]+ 426.15997 206.0
[M-H]- 402.16347 199.2
[M+NH4]+ 421.20457 207.7
[M+K]+ 442.13391 200.2
[M+H-H2O]+ 386.16801 186.5
[M+HCOO]- 448.16895 213.7
[M+CH3COO]- 462.18460 224.6
[M+Na-2H]- 424.14542 198.0
[M]+ 403.17020 200.1
[M]- 403.17130 200.1
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