CID 50115

Brn 0447913

Structural Information

Molecular Formula

C₁₇H₂₇N₃O₄S

SMILES

CCN1CCCC1CNC(=O)C2=C(C=C(C(=C2)NS(=O)(=O)C)C)OC

InChI

InChI=1S/C17H27N3O4S/c1-5-20-8-6-7-13(20)11-18-17(21)14-10-15(19-25(4,22)23)12(2)9-16(14)24-3/h9-10,13,19H,5-8,11H2,1-4H3,(H,18,21)

InChIKey

YTRPYXNQCLTHGY-UHFFFAOYSA-N

Compound name

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 369.17224 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

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]+	370.179516	187.0
[M+Na]+	392.161458	192.3
[M-H]-	368.164964	192.3
[M+NH4]+	387.206063	199.9
[M+K]+	408.135398	188.9
[M+H-H2O]+	352.169500	179.5
[M+HCOO]-	414.170441	202.5
[M+CH3COO]-	428.186091	219.4
[M+Na-2H]-	390.146906	185.5
[M]+	369.17169142	190.4
[M]-	369.17278858	190.4

Literature stripe

literature stripe

Patent stripe

patents stripe