CID 331542

Nsc324621

Structural Information

Molecular Formula
C16H12N2O2
SMILES
CC(=O)C1=C2C=CC=CN2C(=O)C(=C1)C3=CC=CC=N3
InChI
InChI=1S/C16H12N2O2/c1-11(19)12-10-13(14-6-2-4-8-17-14)16(20)18-9-5-3-7-15(12)18/h2-10H,1H3
InChIKey
BUALNRBUPMGWBL-UHFFFAOYSA-N
Compound name
1-acetyl-3-pyridin-2-ylquinolizin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.097146 158.7
[M+Na]+ 287.079088 168.7
[M-H]- 263.082594 164.1
[M+NH4]+ 282.123693 173.4
[M+K]+ 303.053028 163.6
[M+H-H2O]+ 247.087130 149.3
[M+HCOO]- 309.088071 179.1
[M+CH3COO]- 323.103721 170.9
[M+Na-2H]- 285.064536 165.5
[M]+ 264.08932142 160.0
[M]- 264.09041858 160.0
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.