CID 50767

Benzoic acid, p-amino-, (2-(2-ethylhexylamino)-2-methyl)propyl ester, hydrochloride

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CCCCC(CC)CNC(C)(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C19H32N2O2/c1-5-7-8-15(6-2)13-21-19(3,4)14-23-18(22)16-9-11-17(20)12-10-16/h9-12,15,21H,5-8,13-14,20H2,1-4H3
InChIKey
SJLHLXQNKNOACS-UHFFFAOYSA-N
Compound name
[2-(2-ethylhexylamino)-2-methylpropyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.24637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.25365 182.8
[M+Na]+ 343.23559 190.3
[M+NH4]+ 338.28019 188.2
[M+K]+ 359.20953 184.9
[M-H]- 319.23909 183.8
[M+Na-2H]- 341.22104 185.7
[M]+ 320.24582 183.8
[M]- 320.24692 183.8
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.