CID 23658966

Schembl652753

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)N
InChI
InChI=1S/C13H17N3O/c1-8(2)12-11(13(17)9(3)14)10-6-4-5-7-16(10)15-12/h4-9H,14H2,1-3H3
InChIKey
JLKPIOQFGACSJO-UHFFFAOYSA-N
Compound name
2-amino-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
Patents

231.13716 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 153.8
[M+Na]+ 254.12638 162.2
[M-H]- 230.12988 155.9
[M+NH4]+ 249.17098 171.7
[M+K]+ 270.10032 159.3
[M+H-H2O]+ 214.13442 146.4
[M+HCOO]- 276.13536 174.3
[M+CH3COO]- 290.15101 196.2
[M+Na-2H]- 252.11183 155.9
[M]+ 231.13661 155.1
[M]- 231.13771 155.1
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

No patent data available for this compound.