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]+ 388.238326 198.2
[M+Na]+ 410.220268 202.1
[M-H]- 386.223774 203.0
[M+NH4]+ 405.264873 206.0
[M+K]+ 426.194208 193.7
[M+H-H2O]+ 370.228310 183.9
[M+HCOO]- 432.229251 207.9
[M+CH3COO]- 446.244901 204.2
[M+Na-2H]- 408.205716 200.0
[M]+ 387.23050142 191.4
[M]- 387.23159858 191.4
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.