CID 505963

Chembl68889

Structural Information

Molecular Formula
C19H26N2O2
SMILES
C[C@@H]1CCC[C@H]2N1CC[C@@H](C2)NC(=O)C3=C(C=CC(=C3)C=C)O
InChI
InChI=1S/C19H26N2O2/c1-3-14-7-8-18(22)17(11-14)19(23)20-15-9-10-21-13(2)5-4-6-16(21)12-15/h3,7-8,11,13,15-16,22H,1,4-6,9-10,12H2,2H3,(H,20,23)/t13-,15+,16-/m1/s1
InChIKey
VDRYUNUHHDFJMX-VNQPRFMTSA-N
Compound name
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-5-ethenyl-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.19943 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 176.8
[M+Na]+ 337.18865 180.0
[M-H]- 313.19215 180.1
[M+NH4]+ 332.23325 189.8
[M+K]+ 353.16259 174.8
[M+H-H2O]+ 297.19669 168.2
[M+HCOO]- 359.19763 189.9
[M+CH3COO]- 373.21328 209.2
[M+Na-2H]- 335.17410 176.4
[M]+ 314.19888 169.4
[M]- 314.19998 169.4
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.