CID 443879

Tolterodine

Structural Information

Molecular Formula
C22H31NO
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

compound 2d structure
7
Annotation Hits

1055
References

21407
Patents

325.24057 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24785 184.0
[M+Na]+ 348.22979 186.9
[M-H]- 324.23329 189.8
[M+NH4]+ 343.27439 197.5
[M+K]+ 364.20373 183.8
[M+H-H2O]+ 308.23783 175.5
[M+HCOO]- 370.23877 202.8
[M+CH3COO]- 384.25442 218.6
[M+Na-2H]- 346.21524 181.8
[M]+ 325.24002 184.9
[M]- 325.24112 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.