CID 50826

Benzoic acid, p-amino-, 3-(n-benzyl-n-methylamino)propyl ester, hydrochloride

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CN(CCCOC(=O)C1=CC=C(C=C1)N)CC2=CC=CC=C2
InChI
InChI=1S/C18H22N2O2/c1-20(14-15-6-3-2-4-7-15)12-5-13-22-18(21)16-8-10-17(19)11-9-16/h2-4,6-11H,5,12-14,19H2,1H3
InChIKey
MTKRQVYAVHTHJY-UHFFFAOYSA-N
Compound name
3-[benzyl(methyl)amino]propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 172.6
[M+Na]+ 321.157338 176.6
[M-H]- 297.160844 179.4
[M+NH4]+ 316.201943 187.0
[M+K]+ 337.131278 173.9
[M+H-H2O]+ 281.165380 163.4
[M+HCOO]- 343.166321 197.1
[M+CH3COO]- 357.181971 211.2
[M+Na-2H]- 319.142786 175.4
[M]+ 298.16757142 173.6
[M]- 298.16866858 173.6
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.