CID 5719

Zaleplon

Structural Information

Molecular Formula
C17H15N5O
SMILES
CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C
InChI
InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3
InChIKey
HUNXMJYCHXQEGX-UHFFFAOYSA-N
Compound name
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

438
References

13688
Patents

305.12766 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.134936 173.6
[M+Na]+ 328.116878 184.2
[M-H]- 304.120384 176.6
[M+NH4]+ 323.161483 185.3
[M+K]+ 344.090818 178.0
[M+H-H2O]+ 288.124920 156.2
[M+HCOO]- 350.125861 191.3
[M+CH3COO]- 364.141511 182.8
[M+Na-2H]- 326.102326 176.6
[M]+ 305.12711142 171.4
[M]- 305.12820858 171.4
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