CID 48908

67031-48-5

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CN(C)CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H20N2O2/c1-19(2)12-16(13-6-4-3-5-7-13)21-17(20)14-8-10-15(18)11-9-14/h3-11,16H,12,18H2,1-2H3
InChIKey
CEKOPAVBIKRJKH-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-1-phenylethyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 168.4
[M+Na]+ 307.14169 172.6
[M-H]- 283.14519 175.5
[M+NH4]+ 302.18629 183.3
[M+K]+ 323.11563 170.6
[M+H-H2O]+ 267.14973 159.6
[M+HCOO]- 329.15067 192.3
[M+CH3COO]- 343.16632 209.2
[M+Na-2H]- 305.12714 170.6
[M]+ 284.15192 168.5
[M]- 284.15302 168.5
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.