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

13587
Patents

305.12766 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13494 173.6
[M+Na]+ 328.11688 184.2
[M-H]- 304.12038 176.6
[M+NH4]+ 323.16148 185.3
[M+K]+ 344.09082 178.0
[M+H-H2O]+ 288.12492 156.2
[M+HCOO]- 350.12586 191.3
[M+CH3COO]- 364.14151 182.8
[M+Na-2H]- 326.10233 176.6
[M]+ 305.12711 171.4
[M]- 305.12821 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.