PubChemLite - Azeliragon (C32H38ClN3O2)

Structural Information

Molecular Formula

SMILES

CCCCC1=NC(=CN1C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OCCCN(CC)CC

InChI

InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3

InChIKey

KJNNWYBAOPXVJY-UHFFFAOYSA-N

Compound name

3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]imidazol-4-yl]phenoxy]-N,N-diethylpropan-1-amine

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]+	532.27254	238.6
[M+Na]+	554.25448	254.7
[M+NH4]+	549.29908	245.3
[M+K]+	570.22842	244.5
[M-H]-	530.25798	247.0
[M+Na-2H]-	552.23993	248.4
[M]+	531.26471	243.8
[M]-	531.26581	243.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

532.27254

238.6

[M+Na]+

554.25448

254.7

[M+NH4]+

549.29908

245.3

[M+K]+

570.22842

244.5

[M-H]-

530.25798

247.0

[M+Na-2H]-

552.23993

248.4

[M]+

531.26471

243.8

[M]-

531.26581

243.8

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

Azeliragon

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe