CID 18346

Benzoic acid, 3,5-dimethyl-4-(2-piperidinopropionamido)-, propyl ester, perchlorate

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)C(C)N2CCCCC2)C
InChI
InChI=1S/C20H30N2O3/c1-5-11-25-20(24)17-12-14(2)18(15(3)13-17)21-19(23)16(4)22-9-7-6-8-10-22/h12-13,16H,5-11H2,1-4H3,(H,21,23)
InChIKey
VINGBCGTJRDHTB-UHFFFAOYSA-N
Compound name
propyl 3,5-dimethyl-4-(2-piperidin-1-ylpropanoylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.22565 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.23293 186.5
[M+Na]+ 369.21487 188.9
[M-H]- 345.21837 190.4
[M+NH4]+ 364.25947 197.8
[M+K]+ 385.18881 186.3
[M+H-H2O]+ 329.22291 177.4
[M+HCOO]- 391.22385 202.2
[M+CH3COO]- 405.23950 218.1
[M+Na-2H]- 367.20032 183.3
[M]+ 346.22510 185.3
[M]- 346.22620 185.3
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.