CID 3016260

2-(n-ethyl-m-toluidino)ethyl benzoate

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=CC(=C2)C
InChI
InChI=1S/C18H21NO2/c1-3-19(17-11-7-8-15(2)14-17)12-13-21-18(20)16-9-5-4-6-10-16/h4-11,14H,3,12-13H2,1-2H3
InChIKey
XDQFCGOZDVZOMI-UHFFFAOYSA-N
Compound name
2-(N-ethyl-3-methylanilino)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

283.15723 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 168.3
[M+Na]+ 306.146448 173.3
[M-H]- 282.149954 175.8
[M+NH4]+ 301.191053 184.1
[M+K]+ 322.120388 170.9
[M+H-H2O]+ 266.154490 159.6
[M+HCOO]- 328.155431 192.5
[M+CH3COO]- 342.171081 206.8
[M+Na-2H]- 304.131896 171.8
[M]+ 283.15668142 171.1
[M]- 283.15777858 171.1
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.