CID 56112

Brn 5624117

Structural Information

Molecular Formula

C₁₇H₂₇N₃O₄S

SMILES

CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)N(C)S(=O)(=O)C)OC

InChI

InChI=1S/C17H27N3O4S/c1-5-20-10-6-7-14(20)12-18-17(21)15-11-13(8-9-16(15)24-3)19(2)25(4,22)23/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,18,21)

InChIKey

VIDVXXYKIRHHEZ-UHFFFAOYSA-N

Compound name

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 369.17224 Da
Monoisotopic Mass: 1.2
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	187.1
[M+Na]+	392.161458	191.7
[M-H]-	368.164964	193.5
[M+NH4]+	387.206063	200.3
[M+K]+	408.135398	189.7
[M+H-H2O]+	352.169500	179.2
[M+HCOO]-	414.170441	203.1
[M+CH3COO]-	428.186091	221.3
[M+Na-2H]-	390.146906	185.5
[M]+	369.17169142	191.4
[M]-	369.17278858	191.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.