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]+ 366.20638 189.8
[M+Na]+ 388.18832 193.1
[M-H]- 364.19182 196.3
[M+NH4]+ 383.23292 203.3
[M+K]+ 404.16226 188.9
[M+H-H2O]+ 348.19636 180.3
[M+HCOO]- 410.19730 204.3
[M+CH3COO]- 424.21295 198.3
[M+Na-2H]- 386.17377 188.1
[M]+ 365.19855 188.8
[M]- 365.19965 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.