PubChemLite - Bms-346567 (C33H42N4O5S)

Structural Information

Molecular Formula

SMILES

CCCCC1=NC2(CCCCC2)C(=O)N1CC3=CC(=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=NOC(=C5C)C)COCC

InChI

InChI=1S/C33H42N4O5S/c1-5-7-15-30-34-33(18-11-8-12-19-33)32(38)37(30)21-25-16-17-27(26(20-25)22-41-6-2)28-13-9-10-14-29(28)43(39,40)36-31-23(3)24(4)42-35-31/h9-10,13-14,16-17,20H,5-8,11-12,15,18-19,21-22H2,1-4H3,(H,35,36)

InChIKey

CWMQUSPFWVHUGW-UHFFFAOYSA-N

Compound name

2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.5]dec-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

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]+	607.29488	247.0
[M+Na]+	629.27682	252.0
[M-H]-	605.28032	258.6
[M+NH4]+	624.32142	250.0
[M+K]+	645.25076	247.0
[M+H-H2O]+	589.28486	237.0
[M+HCOO]-	651.28580	256.2
[M+CH3COO]-	665.30145	260.3
[M+Na-2H]-	627.26227	241.7
[M]+	606.28705	252.8
[M]-	606.28815	252.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

607.29488

247.0

[M+Na]+

629.27682

252.0

[M-H]-

605.28032

258.6

[M+NH4]+

624.32142

250.0

[M+K]+

645.25076

247.0

[M+H-H2O]+

589.28486

237.0

[M+HCOO]-

651.28580

256.2

[M+CH3COO]-

665.30145

260.3

[M+Na-2H]-

627.26227

241.7

[M]+

606.28705

252.8

[M]-

606.28815

252.8

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

Bms-346567

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe