CID 3032393

Dtxsid70927831

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CO[C@@H]1C[C@]23[C@H]4CC(=O)OCC4CCN2CCC3C=C1

InChI

InChI=1S/C16H23NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,11-14H,4-10H2,1H3/t11?,12?,13-,14-,16-/m0/s1

InChIKey

JRWMALIEYNAISC-ZAYBOEDYSA-N

Compound name

(1S,2S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadec-14-en-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1678 Da
Monoisotopic Mass: 1.3
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]+	278.175076	164.2
[M+Na]+	300.157018	168.9
[M-H]-	276.160524	168.5
[M+NH4]+	295.201623	183.5
[M+K]+	316.130958	166.4
[M+H-H2O]+	260.165060	156.4
[M+HCOO]-	322.166001	174.9
[M+CH3COO]-	336.181651	174.0
[M+Na-2H]-	298.142466	166.7
[M]+	277.16725142	159.3
[M]-	277.16834858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.