CID 9993635

115931-01-6

Structural Information

Molecular Formula

C₁₅H₁₁N₅O

SMILES

CC(=O)NC1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N

InChI

InChI=1S/C15H11N5O/c1-10(21)19-13-4-2-3-11(7-13)14-5-6-17-15-12(8-16)9-18-20(14)15/h2-7,9H,1H3,(H,19,21)

InChIKey

HGCZTXQJFDPOKK-UHFFFAOYSA-N

Compound name

N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 16
Patents: 277.09637 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.10365	166.8
[M+Na]+	300.08559	180.5
[M+NH4]+	295.13019	170.4
[M+K]+	316.05953	172.0
[M-H]-	276.08909	162.3
[M+Na-2H]-	298.07104	171.7
[M]+	277.09582	166.6
[M]-	277.09692	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe