CID 24845958

97147-28-9

Structural Information

Molecular Formula
C24H27N3O
SMILES
C1CCN2CCC[C@@H]([C@H]2C1)CN3C4=CC=CC=C4N=C(C3=O)C5=CC=CC=C5
InChI
InChI=1S/C24H27N3O/c28-24-23(18-9-2-1-3-10-18)25-20-12-4-5-14-22(20)27(24)17-19-11-8-16-26-15-7-6-13-21(19)26/h1-5,9-10,12,14,19,21H,6-8,11,13,15-17H2/t19-,21-/m1/s1
InChIKey
GOPUAIKZERGFBM-TZIWHRDSSA-N
Compound name
1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-phenylquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.21542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.22270 194.7
[M+Na]+ 396.20464 211.2
[M+NH4]+ 391.24924 203.6
[M+K]+ 412.17858 200.4
[M-H]- 372.20814 201.6
[M+Na-2H]- 394.19009 203.0
[M]+ 373.21487 199.2
[M]- 373.21597 199.2
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.