CID 9927200

Ipravacaine

Structural Information

Molecular Formula
C18H26N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2CC3CC3
InChI
InChI=1S/C18H26N2O/c1-13-6-5-7-14(2)17(13)19-18(21)16-8-3-4-11-20(16)12-15-9-10-15/h5-7,15-16H,3-4,8-12H2,1-2H3,(H,19,21)
InChIKey
DNUYDQISHIJMLD-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

17
Patents

286.2045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 169.0
[M+Na]+ 309.19372 174.8
[M-H]- 285.19722 177.0
[M+NH4]+ 304.23832 178.4
[M+K]+ 325.16766 170.0
[M+H-H2O]+ 269.20176 160.2
[M+HCOO]- 331.20270 187.7
[M+CH3COO]- 345.21835 208.2
[M+Na-2H]- 307.17917 169.7
[M]+ 286.20395 167.5
[M]- 286.20505 167.5
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