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

13
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

literature stripe

Patent stripe

patents stripe