CID 64700

Levomepate hydrochloride

Structural Information

Molecular Formula
C18H25NO3
SMILES
C[C@@](CO)(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)N3C
InChI
InChI=1S/C18H25NO3/c1-18(12-20,13-6-4-3-5-7-13)17(21)22-16-10-14-8-9-15(11-16)19(14)2/h3-7,14-16,20H,8-12H2,1-2H3/t14?,15?,16?,18-/m1/s1
InChIKey
XZPAMMPYTOAFOU-XKVNHCMESA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-3-hydroxy-2-methyl-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 174.5
[M+Na]+ 326.17266 178.4
[M-H]- 302.17616 176.8
[M+NH4]+ 321.21726 190.6
[M+K]+ 342.14660 175.0
[M+H-H2O]+ 286.18070 167.7
[M+HCOO]- 348.18164 187.4
[M+CH3COO]- 362.19729 202.4
[M+Na-2H]- 324.15811 175.9
[M]+ 303.18289 172.6
[M]- 303.18399 172.6
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.