CID 3085385

Solpecainol

Structural Information

Molecular Formula
C18H23NO3
SMILES
C[C@@H](COC1=CC=CC=C1)N[C@@H](CO)[C@@H](C2=CC=CC=C2)O
InChI
InChI=1S/C18H23NO3/c1-14(13-22-16-10-6-3-7-11-16)19-17(12-20)18(21)15-8-4-2-5-9-15/h2-11,14,17-21H,12-13H2,1H3/t14-,17-,18+/m0/s1
InChIKey
DQAFKLGCFBLEOM-JCGIZDLHSA-N
Compound name
(1R,2S)-2-[[(2S)-1-phenoxypropan-2-yl]amino]-1-phenylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

146
Patents

301.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.175076 172.7
[M+Na]+ 324.157018 174.5
[M-H]- 300.160524 175.5
[M+NH4]+ 319.201623 185.0
[M+K]+ 340.130958 171.3
[M+H-H2O]+ 284.165060 164.4
[M+HCOO]- 346.166001 191.3
[M+CH3COO]- 360.181651 202.7
[M+Na-2H]- 322.142466 174.4
[M]+ 301.16725142 171.0
[M]- 301.16834858 171.0
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

patents stripe