CID 24845957

Quinoxalin-2(1h)-one, 3-methyl-1-(octahydro-2h-quinolizin-1-ylmethyl)-, trans-

Structural Information

Molecular Formula
C19H25N3O
SMILES
CC1=NC2=CC=CC=C2N(C1=O)C[C@H]3CCCN4[C@@H]3CCCC4
InChI
InChI=1S/C19H25N3O/c1-14-19(23)22(18-10-3-2-8-16(18)20-14)13-15-7-6-12-21-11-5-4-9-17(15)21/h2-3,8,10,15,17H,4-7,9,11-13H2,1H3/t15-,17-/m1/s1
InChIKey
SVUOFGBEINRGJJ-NVXWUHKLSA-N
Compound name
1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-methylquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.19977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 177.8
[M+Na]+ 334.18899 183.5
[M-H]- 310.19249 180.4
[M+NH4]+ 329.23359 189.8
[M+K]+ 350.16293 177.0
[M+H-H2O]+ 294.19703 166.1
[M+HCOO]- 356.19797 188.6
[M+CH3COO]- 370.21362 185.9
[M+Na-2H]- 332.17444 180.7
[M]+ 311.19922 172.2
[M]- 311.20032 172.2
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.