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
2
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]+ 278.103646 165.7
[M+Na]+ 300.085588 177.2
[M-H]- 276.089094 167.8
[M+NH4]+ 295.130193 178.0
[M+K]+ 316.059528 170.2
[M+H-H2O]+ 260.093630 148.9
[M+HCOO]- 322.094571 183.6
[M+CH3COO]- 336.110221 175.3
[M+Na-2H]- 298.071036 170.3
[M]+ 277.09582142 161.9
[M]- 277.09691858 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

literature stripe

Patent stripe

patents stripe