CID 3086618

Zamifenacin

Structural Information

Molecular Formula
C27H29NO3
SMILES
C1C[C@H](CN(C1)CCC2=CC3=C(C=C2)OCO3)OC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H29NO3/c1-3-8-22(9-4-1)27(23-10-5-2-6-11-23)31-24-12-7-16-28(19-24)17-15-21-13-14-25-26(18-21)30-20-29-25/h1-6,8-11,13-14,18,24,27H,7,12,15-17,19-20H2/t24-/m1/s1
InChIKey
BDNFQGRSKSQXRI-XMMPIXPASA-N
Compound name
(3R)-3-benzhydryloxy-1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

683
Patents

415.21475 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.22203 201.1
[M+Na]+ 438.20397 203.1
[M-H]- 414.20747 212.3
[M+NH4]+ 433.24857 208.2
[M+K]+ 454.17791 199.7
[M+H-H2O]+ 398.21201 189.7
[M+HCOO]- 460.21295 214.4
[M+CH3COO]- 474.22860 208.5
[M+Na-2H]- 436.18942 200.8
[M]+ 415.21420 198.6
[M]- 415.21530 198.6
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.