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]+ 325.16774 178.0
[M+Na]+ 347.14968 182.9
[M-H]- 323.15318 182.1
[M+NH4]+ 342.19428 191.4
[M+K]+ 363.12362 178.0
[M+H-H2O]+ 307.15772 169.8
[M+HCOO]- 369.15866 191.8
[M+CH3COO]- 383.17431 210.2
[M+Na-2H]- 345.13513 178.1
[M]+ 324.15991 178.5
[M]- 324.16101 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.