CID 50727

Benzoic acid, p-amino-, 2-(n-methyl-n-(3-phenylpropyl)amino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CN(CCCC1=CC=CC=C1)CCOC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C19H24N2O2/c1-21(13-5-8-16-6-3-2-4-7-16)14-15-23-19(22)17-9-11-18(20)12-10-17/h2-4,6-7,9-12H,5,8,13-15,20H2,1H3
InChIKey
RUOSMSLZDAQWRQ-UHFFFAOYSA-N
Compound name
2-[methyl(3-phenylpropyl)amino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.191056 177.1
[M+Na]+ 335.172998 180.7
[M-H]- 311.176504 183.7
[M+NH4]+ 330.217603 191.0
[M+K]+ 351.146938 177.7
[M+H-H2O]+ 295.181040 167.8
[M+HCOO]- 357.181981 201.3
[M+CH3COO]- 371.197631 214.2
[M+Na-2H]- 333.158446 179.5
[M]+ 312.18323142 178.5
[M]- 312.18432858 178.5
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.