CID 9819382

Desfesoterodine

Structural Information

Molecular Formula
C22H31NO2
SMILES
CC(C)N(CC[C@H](C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C
InChI
InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1
InChIKey
DUXZAXCGJSBGDW-HXUWFJFHSA-N
Compound name
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

36
References

719
Patents

341.23547 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 187.5
[M+Na]+ 364.22469 198.4
[M+NH4]+ 359.26929 194.3
[M+K]+ 380.19863 192.1
[M-H]- 340.22819 191.4
[M+Na-2H]- 362.21014 193.4
[M]+ 341.23492 190.1
[M]- 341.23602 190.1
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