CID 9993635

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

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

19
Patents

277.09637 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10365 165.7
[M+Na]+ 300.08559 177.2
[M-H]- 276.08909 167.8
[M+NH4]+ 295.13019 178.0
[M+K]+ 316.05953 170.2
[M+H-H2O]+ 260.09363 148.9
[M+HCOO]- 322.09457 183.6
[M+CH3COO]- 336.11022 175.3
[M+Na-2H]- 298.07104 170.3
[M]+ 277.09582 161.9
[M]- 277.09692 161.9
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.