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]+ 313.19106 177.6
[M+Na]+ 335.17300 188.9
[M+NH4]+ 330.21760 184.8
[M+K]+ 351.14694 181.4
[M-H]- 311.17650 182.7
[M+Na-2H]- 333.15845 185.4
[M]+ 312.18323 180.5
[M]- 312.18433 180.5
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.