CID 24845954

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

Structural Information

Molecular Formula
C25H29N3O
SMILES
C1CCN2CCC[C@@H]([C@H]2C1)CN3C4=CC=CC=C4N=C(C3=O)CC5=CC=CC=C5
InChI
InChI=1S/C25H29N3O/c29-25-22(17-19-9-2-1-3-10-19)26-21-12-4-5-14-24(21)28(25)18-20-11-8-16-27-15-7-6-13-23(20)27/h1-5,9-10,12,14,20,23H,6-8,11,13,15-18H2/t20-,23-/m1/s1
InChIKey
FINIUAZAPYRBRY-NFBKMPQASA-N
Compound name
1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-benzylquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.23105 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.23833 199.1
[M+Na]+ 410.22027 215.4
[M+NH4]+ 405.26487 207.9
[M+K]+ 426.19421 204.4
[M-H]- 386.22377 206.0
[M+Na-2H]- 408.20572 207.1
[M]+ 387.23050 203.6
[M]- 387.23160 203.6
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.