CID 505979

Chembl302790

Structural Information

Molecular Formula
C17H25N3O
SMILES
C[C@@H]1CCC[C@H]2N1CC[C@@H](C2)NC(=O)C3=CC=CC=C3N
InChI
InChI=1S/C17H25N3O/c1-12-5-4-6-14-11-13(9-10-20(12)14)19-17(21)15-7-2-3-8-16(15)18/h2-3,7-8,12-14H,4-6,9-11,18H2,1H3,(H,19,21)/t12-,13+,14-/m1/s1
InChIKey
BORIMZTUSLNKMA-HZSPNIEDSA-N
Compound name
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-2-aminobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.19977 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 168.9
[M+Na]+ 310.18899 171.6
[M-H]- 286.19249 173.0
[M+NH4]+ 305.23359 183.0
[M+K]+ 326.16293 167.2
[M+H-H2O]+ 270.19703 160.0
[M+HCOO]- 332.19797 184.3
[M+CH3COO]- 346.21362 207.5
[M+Na-2H]- 308.17444 170.2
[M]+ 287.19922 160.0
[M]- 287.20032 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.