CID 175805

Ropivacaine

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1
InChIKey
ZKMNUMMKYBVTFN-HNNXBMFYSA-N
Compound name
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4996
References

23188
Patents

274.2045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 168.6
[M+Na]+ 297.19372 172.8
[M-H]- 273.19722 172.9
[M+NH4]+ 292.23832 183.2
[M+K]+ 313.16766 169.1
[M+H-H2O]+ 257.20176 160.0
[M+HCOO]- 319.20270 186.7
[M+CH3COO]- 333.21835 204.4
[M+Na-2H]- 295.17917 169.1
[M]+ 274.20395 165.4
[M]- 274.20505 165.4
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