CID 24845956

Quinoxalin-2(1h)-one, 6-methoxy-3-methyl-1-(octahydro-2h-quinolizin-1-ylmethyl)-, trans-

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CC1=NC2=C(C=CC(=C2)OC)N(C1=O)C[C@H]3CCCN4[C@@H]3CCCC4
InChI
InChI=1S/C20H27N3O2/c1-14-20(24)23(19-9-8-16(25-2)12-17(19)21-14)13-15-6-5-11-22-10-4-3-7-18(15)22/h8-9,12,15,18H,3-7,10-11,13H2,1-2H3/t15-,18-/m1/s1
InChIKey
NHPSAOFHOUICIM-CRAIPNDOSA-N
Compound name
1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-6-methoxy-3-methylquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 186.0
[M+Na]+ 364.19955 191.9
[M-H]- 340.20305 188.8
[M+NH4]+ 359.24415 196.9
[M+K]+ 380.17349 186.0
[M+H-H2O]+ 324.20759 174.1
[M+HCOO]- 386.20853 196.5
[M+CH3COO]- 400.22418 193.7
[M+Na-2H]- 362.18500 187.7
[M]+ 341.20978 182.5
[M]- 341.21088 182.5
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.