CID 216456

Ocinaplon

Structural Information

Molecular Formula
C17H11N5O
SMILES
C1=CC=NC(=C1)C(=O)C2=C3N=CC=C(N3N=C2)C4=CC=NC=C4
InChI
InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H
InChIKey
OQJFBUOFGHPMSR-UHFFFAOYSA-N
Compound name
pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

759
Patents

301.09637 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10365 169.1
[M+Na]+ 324.08559 179.6
[M-H]- 300.08909 173.9
[M+NH4]+ 319.13019 179.1
[M+K]+ 340.05953 172.5
[M+H-H2O]+ 284.09363 156.9
[M+HCOO]- 346.09457 187.9
[M+CH3COO]- 360.11022 179.7
[M+Na-2H]- 322.07104 176.2
[M]+ 301.09582 170.5
[M]- 301.09692 170.5
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