PubChemLite - Fr-118487 (C18H29NO5)

Structural Information

Molecular Formula

SMILES

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NC)OC)C

InChI

InChI=1S/C18H29NO5/c1-11(2)6-7-13-17(3,24-13)15-14(21-5)12(23-16(20)19-4)8-9-18(15)10-22-18/h6,12-15H,7-10H2,1-5H3,(H,19,20)/t12-,13-,14-,15-,17+,18+/m1/s1

InChIKey

AMAXEUYAJTYMDS-CNGUFQHNSA-N

Compound name

[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-methylcarbamate

Related CIDs

2D Structure

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]+	340.21184	157.4
[M+Na]+	362.19378	167.8
[M+NH4]+	357.23838	166.2
[M+K]+	378.16772	165.4
[M-H]-	338.19728	174.1
[M+Na-2H]-	360.17923	167.2
[M]+	339.20401	165.8
[M]-	339.20511	165.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

340.21184

157.4

[M+Na]+

362.19378

167.8

[M+NH4]+

357.23838

166.2

[M+K]+

378.16772

165.4

[M-H]-

338.19728

174.1

[M+Na-2H]-

360.17923

167.2

[M]+

339.20401

165.8

[M]-

339.20511

165.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fr-118487

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe