Hydroxyterfenadine (C32H41NO3)

Structural Information

Molecular Formula

SMILES

CC(C)(CO)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

InChI

InChI=1S/C32H41NO3/c1-31(2,24-34)26-17-15-25(16-18-26)30(35)14-9-21-33-22-19-29(20-23-33)32(36,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-18,29-30,34-36H,9,14,19-24H2,1-2H3

InChIKey

ZIQKFOOBIMENJF-UHFFFAOYSA-N

Compound name

4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]butan-1-ol

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]+	488.315926	221.9
[M+Na]+	510.297868	220.2
[M-H]-	486.301374	226.4
[M+NH4]+	505.342473	224.0
[M+K]+	526.271808	213.4
[M+H-H2O]+	470.305910	210.5
[M+HCOO]-	532.306851	228.5
[M+CH3COO]-	546.322501	234.1
[M+Na-2H]-	508.283316	221.0
[M]+	487.30810142	215.6
[M]-	487.30919858	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.315926

221.9

[M+Na]+

510.297868

220.2

[M-H]-

486.301374

226.4

[M+NH4]+

505.342473

224.0

[M+K]+

526.271808

213.4

[M+H-H2O]+

470.305910

210.5

[M+HCOO]-

532.306851

228.5

[M+CH3COO]-

546.322501

234.1

[M+Na-2H]-

508.283316

221.0

[M]+

487.30810142

215.6

[M]-

487.30919858

215.6

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

Hydroxyterfenadine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe