PubChemLite - Azd 7009 (C23H34N4O5)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)NCCN1CC2CN(CC(C1)O2)C[C@@H](COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C23H34N4O5/c1-23(2,3)32-22(29)25-8-9-26-12-20-14-27(15-21(13-26)31-20)11-18(28)16-30-19-6-4-17(10-24)5-7-19/h4-7,18,20-21,28H,8-9,11-16H2,1-3H3,(H,25,29)/t18-,20?,21?/m0/s1

InChIKey

JRHUUZPSMQIWBQ-PELRDEGISA-N

Compound name

tert-butyl N-[2-[7-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamate

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]+	447.26021	205.5
[M+Na]+	469.24215	208.3
[M-H]-	445.24565	204.6
[M+NH4]+	464.28675	209.6
[M+K]+	485.21609	204.8
[M+H-H2O]+	429.25019	189.5
[M+HCOO]-	491.25113	210.2
[M+CH3COO]-	505.26678	239.4
[M+Na-2H]-	467.22760	206.0
[M]+	446.25238	200.3
[M]-	446.25348	200.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.26021

205.5

[M+Na]+

469.24215

208.3

[M-H]-

445.24565

204.6

[M+NH4]+

464.28675

209.6

[M+K]+

485.21609

204.8

[M+H-H2O]+

429.25019

189.5

[M+HCOO]-

491.25113

210.2

[M+CH3COO]-

505.26678

239.4

[M+Na-2H]-

467.22760

206.0

[M]+

446.25238

200.3

[M]-

446.25348

200.3

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

Azd 7009

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe