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
2
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]+ 312.207046 177.8
[M+Na]+ 334.188988 183.5
[M-H]- 310.192494 180.4
[M+NH4]+ 329.233593 189.8
[M+K]+ 350.162928 177.0
[M+H-H2O]+ 294.197030 166.1
[M+HCOO]- 356.197971 188.6
[M+CH3COO]- 370.213621 185.9
[M+Na-2H]- 332.174436 180.7
[M]+ 311.19922142 172.2
[M]- 311.20031858 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.