CID 50834

Benzoic acid, p-amino-, 2-((1-butylpentyl)amino)propyl ester, hydrochloride

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CCCCC(CCCC)NC(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C19H32N2O2/c1-4-6-8-18(9-7-5-2)21-15(3)14-23-19(22)16-10-12-17(20)13-11-16/h10-13,15,18,21H,4-9,14,20H2,1-3H3
InChIKey
RDCLDFKWBAJYMF-UHFFFAOYSA-N
Compound name
2-(nonan-5-ylamino)propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.24637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.253646 184.8
[M+Na]+ 343.235588 186.5
[M-H]- 319.239094 186.4
[M+NH4]+ 338.280193 198.1
[M+K]+ 359.209528 183.9
[M+H-H2O]+ 303.243630 176.5
[M+HCOO]- 365.244571 205.0
[M+CH3COO]- 379.260221 216.9
[M+Na-2H]- 341.221036 182.6
[M]+ 320.24582142 186.3
[M]- 320.24691858 186.3
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.