CID 168010199

943609-66-3

Structural Information

Molecular Formula
C16H16N4O2
SMILES
C=C1CC2(CCN(C2)C(=O)C3=C4C=CC=CN4N=C3)C(=O)N1
InChI
InChI=1S/C16H16N4O2/c1-11-8-16(15(22)18-11)5-7-19(10-16)14(21)12-9-17-20-6-3-2-4-13(12)20/h2-4,6,9H,1,5,7-8,10H2,(H,18,22)
InChIKey
LVUVYFVYRXWDLT-UHFFFAOYSA-N
Compound name
3-methylidene-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.12732 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13460 170.0
[M+Na]+ 319.11654 179.2
[M-H]- 295.12004 174.7
[M+NH4]+ 314.16114 187.6
[M+K]+ 335.09048 173.9
[M+H-H2O]+ 279.12458 161.5
[M+HCOO]- 341.12552 186.2
[M+CH3COO]- 355.14117 180.6
[M+Na-2H]- 317.10199 167.9
[M]+ 296.12677 167.0
[M]- 296.12787 167.0
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.