CID 505977

Chembl66517

Structural Information

Molecular Formula
C17H24N2O3
SMILES
C[C@@H]1CCC[C@H]2N1CC[C@@H](C2)NC(=O)C3=C(C(=CC=C3)O)O
InChI
InChI=1S/C17H24N2O3/c1-11-4-2-5-13-10-12(8-9-19(11)13)18-17(22)14-6-3-7-15(20)16(14)21/h3,6-7,11-13,20-21H,2,4-5,8-10H2,1H3,(H,18,22)/t11-,12+,13-/m1/s1
InChIKey
CTMZLUJLBFRESF-FRRDWIJNSA-N
Compound name
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-2,3-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18596 171.9
[M+Na]+ 327.16790 175.2
[M-H]- 303.17140 174.2
[M+NH4]+ 322.21250 184.6
[M+K]+ 343.14184 170.9
[M+H-H2O]+ 287.17594 163.8
[M+HCOO]- 349.17688 184.2
[M+CH3COO]- 363.19253 204.0
[M+Na-2H]- 325.15335 172.4
[M]+ 304.17813 164.3
[M]- 304.17923 164.3
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.