CID 24845955

Quinoxalin-2(1h)-one, 6-chloro-3-methyl-1-(octahydro-2h-quinolizin-1-ylmethyl)-, trans-

Structural Information

Molecular Formula
C19H24ClN3O
SMILES
CC1=NC2=C(C=CC(=C2)Cl)N(C1=O)C[C@H]3CCCN4[C@@H]3CCCC4
InChI
InChI=1S/C19H24ClN3O/c1-13-19(24)23(18-8-7-15(20)11-16(18)21-13)12-14-5-4-10-22-9-3-2-6-17(14)22/h7-8,11,14,17H,2-6,9-10,12H2,1H3/t14-,17-/m1/s1
InChIKey
ICABZNVYEWIPAF-RHSMWYFYSA-N
Compound name
1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-6-chloro-3-methylquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1608 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16808 184.6
[M+Na]+ 368.15002 191.9
[M-H]- 344.15352 187.2
[M+NH4]+ 363.19462 196.3
[M+K]+ 384.12396 184.2
[M+H-H2O]+ 328.15806 173.3
[M+HCOO]- 390.15900 190.7
[M+CH3COO]- 404.17465 192.5
[M+Na-2H]- 366.13547 186.2
[M]+ 345.16025 181.5
[M]- 345.16135 181.5
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.