CID 26377

Leiopyrrole

Structural Information

Molecular Formula

C₂₃H₂₈N₂O

SMILES

CCN(CC)CCOC1=CC=CC=C1N2C(=CC=C2C3=CC=CC=C3)C

InChI

InChI=1S/C23H28N2O/c1-4-24(5-2)17-18-26-23-14-10-9-13-22(23)25-19(3)15-16-21(25)20-11-7-6-8-12-20/h6-16H,4-5,17-18H2,1-3H3

InChIKey

DQIUUHJEYNMMLD-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-[2-(2-methyl-5-phenylpyrrol-1-yl)phenoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 633
Patents: 348.22015 Da
Monoisotopic Mass: 5.1
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]+	349.22743	188.8
[M+Na]+	371.20937	203.2
[M+NH4]+	366.25397	197.1
[M+K]+	387.18331	195.4
[M-H]-	347.21287	195.9
[M+Na-2H]-	369.19482	198.7
[M]+	348.21960	193.0
[M]-	348.22070	193.0

Literature stripe

literature stripe

Patent stripe

patents stripe