PubChemLite - 16196-82-0 (C23H29NO4)

Structural Information

Molecular Formula

SMILES

CC(=O)[C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC

InChI

InChI=1S/C23H29NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-6,15,17,20H,7-12H2,1-4H3/t15-,17-,20-,21-,22+,23-/m1/s1

InChIKey

KRWAWNXEYPCCLG-LLGZQOTFSA-N

Compound name

1-[(1S,2S,6R,14R,15R,16S)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]ethanone

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]+	384.21694	183.1
[M+Na]+	406.19888	186.5
[M-H]-	382.20238	182.6
[M+NH4]+	401.24348	205.1
[M+K]+	422.17282	182.7
[M+H-H2O]+	366.20692	170.6
[M+HCOO]-	428.20786	182.8
[M+CH3COO]-	442.22351	189.5
[M+Na-2H]-	404.18433	188.2
[M]+	383.20911	186.6
[M]-	383.21021	186.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

384.21694

183.1

[M+Na]+

406.19888

186.5

[M-H]-

382.20238

182.6

[M+NH4]+

401.24348

205.1

[M+K]+

422.17282

182.7

[M+H-H2O]+

366.20692

170.6

[M+HCOO]-

428.20786

182.8

[M+CH3COO]-

442.22351

189.5

[M+Na-2H]-

404.18433

188.2

[M]+

383.20911

186.6

[M]-

383.21021

186.6

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

16196-82-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe