CID 23551

Paridocaine

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCCCNC1=CC=C(C=C1)C(=O)OC2CCN(CC2)C
InChI
InChI=1S/C17H26N2O2/c1-3-4-11-18-15-7-5-14(6-8-15)17(20)21-16-9-12-19(2)13-10-16/h5-8,16,18H,3-4,9-13H2,1-2H3
InChIKey
AROAGUCPXICSGW-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 4-(butylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

290.19943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 171.6
[M+Na]+ 313.18865 174.7
[M-H]- 289.19215 175.5
[M+NH4]+ 308.23325 185.1
[M+K]+ 329.16259 171.5
[M+H-H2O]+ 273.19669 162.5
[M+HCOO]- 335.19763 189.9
[M+CH3COO]- 349.21328 205.3
[M+Na-2H]- 311.17410 172.8
[M]+ 290.19888 169.4
[M]- 290.19998 169.4
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