CID 56949431

Pmid25666693-compound-86

Structural Information

Molecular Formula
C20H21F2N3O2
SMILES
CC(C)(C)C1=C(C=C(C=C1F)OCCNC(=O)C2=C3C=CC=CN3N=C2)F
InChI
InChI=1S/C20H21F2N3O2/c1-20(2,3)18-15(21)10-13(11-16(18)22)27-9-7-23-19(26)14-12-24-25-8-5-4-6-17(14)25/h4-6,8,10-12H,7,9H2,1-3H3,(H,23,26)
InChIKey
SDAKWMHNXUGINA-UHFFFAOYSA-N
Compound name
N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

373.1602 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16748 189.3
[M+Na]+ 396.14942 198.7
[M-H]- 372.15292 192.6
[M+NH4]+ 391.19402 201.8
[M+K]+ 412.12336 193.0
[M+H-H2O]+ 356.15746 178.6
[M+HCOO]- 418.15840 207.8
[M+CH3COO]- 432.17405 220.6
[M+Na-2H]- 394.13487 191.7
[M]+ 373.15965 192.1
[M]- 373.16075 192.1
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