CID 3034352

Naltropine

Structural Information

Molecular Formula

C₁₉H₂₅NO₃

SMILES

C=CCN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

InChI

InChI=1S/C19H25NO3/c1-2-10-20-15-8-9-16(20)12-17(11-15)23-19(22)18(13-21)14-6-4-3-5-7-14/h2-7,15-18,21H,1,8-13H2

InChIKey

LSNYUHIYIPLFNS-UHFFFAOYSA-N

Compound name

(8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 315.18344 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	316.190716	177.7
[M+Na]+	338.172658	180.7
[M-H]-	314.176164	179.5
[M+NH4]+	333.217263	192.9
[M+K]+	354.146598	176.4
[M+H-H2O]+	298.180700	170.1
[M+HCOO]-	360.181641	191.0
[M+CH3COO]-	374.197291	205.1
[M+Na-2H]-	336.158106	176.3
[M]+	315.18289142	175.2
[M]-	315.18398858	175.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe