CID 50819

Benzoic acid, p-amino-, 2-(n-benzyl-n-methylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CN(CCOC(=O)C1=CC=C(C=C1)N)CC2=CC=CC=C2
InChI
InChI=1S/C17H20N2O2/c1-19(13-14-5-3-2-4-6-14)11-12-21-17(20)15-7-9-16(18)10-8-15/h2-10H,11-13,18H2,1H3
InChIKey
HICAFKKYHWJQRI-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.159746 168.0
[M+Na]+ 307.141688 172.5
[M-H]- 283.145194 175.0
[M+NH4]+ 302.186293 183.0
[M+K]+ 323.115628 169.9
[M+H-H2O]+ 267.149730 159.1
[M+HCOO]- 329.150671 192.9
[M+CH3COO]- 343.166321 208.3
[M+Na-2H]- 305.127136 171.4
[M]+ 284.15192142 168.7
[M]- 284.15301858 168.7
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.