CID 154059

Solifenacin

Structural Information

Molecular Formula
C23H26N2O2
SMILES
C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4[C@@H]3C5=CC=CC=C5
InChI
InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
InChIKey
FBOUYBDGKBSUES-VXKWHMMOSA-N
Compound name
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

695
References

10913
Patents

362.19943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 184.5
[M+Na]+ 385.18865 197.7
[M+NH4]+ 380.23325 195.0
[M+K]+ 401.16259 188.1
[M-H]- 361.19215 187.2
[M+Na-2H]- 383.17410 185.6
[M]+ 362.19888 187.2
[M]- 362.19998 187.2
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