CID 3057565

Methoxytropacin, hydrochloride

Structural Information

Molecular Formula
C23H27NO3
SMILES
CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H27NO3/c1-24-18-10-11-19(24)15-21(14-18)27-23(25)22(16-6-4-3-5-7-16)17-8-12-20(26-2)13-9-17/h3-9,12-13,18-19,21-22H,10-11,14-15H2,1-2H3
InChIKey
XZFYWUASOFWGGI-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-methoxyphenyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.206376 189.8
[M+Na]+ 388.188318 193.1
[M-H]- 364.191824 196.3
[M+NH4]+ 383.232923 203.3
[M+K]+ 404.162258 188.9
[M+H-H2O]+ 348.196360 180.3
[M+HCOO]- 410.197301 204.3
[M+CH3COO]- 424.212951 198.3
[M+Na-2H]- 386.173766 188.1
[M]+ 365.19855142 188.8
[M]- 365.19964858 188.8
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.