CID 24845294

93798-80-2

Structural Information

Molecular Formula

C₁₇H₂₇N₃OS

SMILES

CC(C1=CC=CS1)NCCNC(=O)C2=CC(NC2(C)C)(C)C

InChI

InChI=1S/C17H27N3OS/c1-12(14-7-6-10-22-14)18-8-9-19-15(21)13-11-16(2,3)20-17(13,4)5/h6-7,10-12,18,20H,8-9H2,1-5H3,(H,19,21)

InChIKey

GTKKGOMPKRKKAS-UHFFFAOYSA-N

Compound name

2,2,5,5-tetramethyl-N-[2-(1-thiophen-2-ylethylamino)ethyl]-1H-pyrrole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 321.18747 Da
Monoisotopic Mass: 1.4
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]+	322.194746	174.7
[M+Na]+	344.176688	180.3
[M-H]-	320.180194	178.9
[M+NH4]+	339.221293	194.6
[M+K]+	360.150628	176.4
[M+H-H2O]+	304.184730	169.4
[M+HCOO]-	366.185671	190.7
[M+CH3COO]-	380.201321	208.8
[M+Na-2H]-	342.162136	173.3
[M]+	321.18692142	175.9
[M]-	321.18801858	175.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.