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

1056
References

21194
Patents

325.24057 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.247846 184.0
[M+Na]+ 348.229788 186.9
[M-H]- 324.233294 189.8
[M+NH4]+ 343.274393 197.5
[M+K]+ 364.203728 183.8
[M+H-H2O]+ 308.237830 175.5
[M+HCOO]- 370.238771 202.8
[M+CH3COO]- 384.254421 218.6
[M+Na-2H]- 346.215236 181.8
[M]+ 325.24002142 184.9
[M]- 325.24111858 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

literature stripe

Patent stripe

patents stripe