CID 24892799

3'-hydroxyropivacaine

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC(=C2C)O)C
InChI
InChI=1S/C17H26N2O2/c1-4-10-19-11-6-5-7-14(19)17(21)18-16-12(2)8-9-15(20)13(16)3/h8-9,14,20H,4-7,10-11H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKey
IXOVDWXTIIYVOJ-AWEZNQCLSA-N
Compound name
(2S)-N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

290.19943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.0
[M+Na]+ 313.18865 176.6
[M-H]- 289.19215 175.4
[M+NH4]+ 308.23325 185.5
[M+K]+ 329.16259 172.7
[M+H-H2O]+ 273.19669 163.8
[M+HCOO]- 335.19763 188.8
[M+CH3COO]- 349.21328 205.4
[M+Na-2H]- 311.17410 171.4
[M]+ 290.19888 168.8
[M]- 290.19998 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe