PubChemLite - 159325-45-8 (C23H35NO2)

Structural Information

Molecular Formula

SMILES

C[C@]12CCC3C(C1CC(C2=O)N4CCCC4)CCC5[C@@]3(CC6C(C5)O6)C

InChI

InChI=1S/C23H35NO2/c1-22-8-7-16-15(6-5-14-11-19-20(26-19)13-23(14,16)2)17(22)12-18(21(22)25)24-9-3-4-10-24/h14-20H,3-13H2,1-2H3/t14?,15?,16?,17?,18?,19?,20?,22-,23-/m0/s1

InChIKey

ZZMJTNMGPPBIOY-SLGODVNHSA-N

Compound name

(2S,16S)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-one

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]+	358.27406	190.9
[M+Na]+	380.25600	196.8
[M-H]-	356.25950	197.7
[M+NH4]+	375.30060	206.7
[M+K]+	396.22994	191.7
[M+H-H2O]+	340.26404	183.9
[M+HCOO]-	402.26498	194.6
[M+CH3COO]-	416.28063	198.1
[M+Na-2H]-	378.24145	186.7
[M]+	357.26623	185.9
[M]-	357.26733	185.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

358.27406

190.9

[M+Na]+

380.25600

196.8

[M-H]-

356.25950

197.7

[M+NH4]+

375.30060

206.7

[M+K]+

396.22994

191.7

[M+H-H2O]+

340.26404

183.9

[M+HCOO]-

402.26498

194.6

[M+CH3COO]-

416.28063

198.1

[M+Na-2H]-

378.24145

186.7

[M]+

357.26623

185.9

[M]-

357.26733

185.9

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

159325-45-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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