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 198.2
[M+Na]+ 410.22027 202.1
[M-H]- 386.22377 203.0
[M+NH4]+ 405.26487 206.0
[M+K]+ 426.19421 193.7
[M+H-H2O]+ 370.22831 183.9
[M+HCOO]- 432.22925 207.9
[M+CH3COO]- 446.24490 204.2
[M+Na-2H]- 408.20572 200.0
[M]+ 387.23050 191.4
[M]- 387.23160 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.