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 193.9
[M+Na]+ 396.20464 198.4
[M-H]- 372.20814 198.9
[M+NH4]+ 391.24924 202.3
[M+K]+ 412.17858 190.1
[M+H-H2O]+ 356.21268 179.8
[M+HCOO]- 418.21362 204.0
[M+CH3COO]- 432.22927 200.4
[M+Na-2H]- 394.19009 196.3
[M]+ 373.21487 186.9
[M]- 373.21597 186.9
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.