CID 20989

Chloroparidocaine

Structural Information

Molecular Formula
C17H25ClN2O2
SMILES
CCCCNC1=CC(=C(C=C1)C(=O)OC2CCN(CC2)C)Cl
InChI
InChI=1S/C17H25ClN2O2/c1-3-4-9-19-13-5-6-15(16(18)12-13)17(21)22-14-7-10-20(2)11-8-14/h5-6,12,14,19H,3-4,7-11H2,1-2H3
InChIKey
WROMRZIXHGGSBM-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 4-(butylamino)-2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16046 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.167736 178.0
[M+Na]+ 347.149678 182.9
[M-H]- 323.153184 182.1
[M+NH4]+ 342.194283 191.4
[M+K]+ 363.123618 178.0
[M+H-H2O]+ 307.157720 169.8
[M+HCOO]- 369.158661 191.8
[M+CH3COO]- 383.174311 210.2
[M+Na-2H]- 345.135126 178.1
[M]+ 324.15991142 178.5
[M]- 324.16100858 178.5
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

No patent data available for this compound.