CID 50731

Benzoic acid, p-amino-, 3-(n-methyl-n-(3-phenylpropyl)amino)propyl ester, hydrochloride

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CN(CCCC1=CC=CC=C1)CCCOC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C20H26N2O2/c1-22(14-5-9-17-7-3-2-4-8-17)15-6-16-24-20(23)18-10-12-19(21)13-11-18/h2-4,7-8,10-13H,5-6,9,14-16,21H2,1H3
InChIKey
SJYXXMUPCIHOQN-UHFFFAOYSA-N
Compound name
3-[methyl(3-phenylpropyl)amino]propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 182.1
[M+Na]+ 349.18865 193.2
[M+NH4]+ 344.23325 189.2
[M+K]+ 365.16259 185.5
[M-H]- 325.19215 187.1
[M+Na-2H]- 347.17410 189.6
[M]+ 326.19888 184.9
[M]- 326.19998 184.9
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.