CID 505967

Chembl69464

Structural Information

Molecular Formula
C23H28N2O2
SMILES
C[C@@H]1CCC[C@H]2N1CC[C@@H](C2)NC(=O)C3=C(C=CC(=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C23H28N2O2/c1-16-6-5-9-20-15-19(12-13-25(16)20)24-23(27)21-14-18(10-11-22(21)26)17-7-3-2-4-8-17/h2-4,7-8,10-11,14,16,19-20,26H,5-6,9,12-13,15H2,1H3,(H,24,27)/t16-,19+,20-/m1/s1
InChIKey
FLXDHJNYWWMCKF-LSTHTHJFSA-N
Compound name
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-2-hydroxy-5-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.2151 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22238 189.0
[M+Na]+ 387.20432 191.3
[M-H]- 363.20782 195.0
[M+NH4]+ 382.24892 199.2
[M+K]+ 403.17826 185.2
[M+H-H2O]+ 347.21236 178.4
[M+HCOO]- 409.21330 201.7
[M+CH3COO]- 423.22895 196.0
[M+Na-2H]- 385.18977 188.9
[M]+ 364.21455 180.9
[M]- 364.21565 180.9
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.