PubChemLite - Tolterodine (C22H31NO)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1

InChIKey

OOGJQPCLVADCPB-HXUWFJFHSA-N

Compound name

2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol

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]+	326.24785	184.1
[M+Na]+	348.22979	196.0
[M+NH4]+	343.27439	191.8
[M+K]+	364.20373	188.9
[M-H]-	324.23329	189.0
[M+Na-2H]-	346.21524	191.1
[M]+	325.24002	187.2
[M]-	325.24112	187.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

326.24785

184.1

[M+Na]+

348.22979

196.0

[M+NH4]+

343.27439

191.8

[M+K]+

364.20373

188.9

[M-H]-

324.23329

189.0

[M+Na-2H]-

346.21524

191.1

[M]+

325.24002

187.2

[M]-

325.24112

187.2

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

Tolterodine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe