CID 3085385

Solpecainol hydrochloride

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
1
Annotation Hits

0
References

139
Patents

301.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 172.7
[M+Na]+ 324.15702 174.5
[M-H]- 300.16052 175.5
[M+NH4]+ 319.20162 185.0
[M+K]+ 340.13096 171.3
[M+H-H2O]+ 284.16506 164.4
[M+HCOO]- 346.16600 191.3
[M+CH3COO]- 360.18165 202.7
[M+Na-2H]- 322.14247 174.4
[M]+ 301.16725 171.0
[M]- 301.16835 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