CID 104010

2-(ethylanilino)ethyl benzoate

Structural Information

Molecular Formula
C17H19NO2
SMILES
CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H19NO2/c1-2-18(16-11-7-4-8-12-16)13-14-20-17(19)15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChIKey
LVRZDVFALRTAHV-UHFFFAOYSA-N
Compound name
2-(N-ethylanilino)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

269.14157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 164.0
[M+Na]+ 292.130788 168.5
[M-H]- 268.134294 171.2
[M+NH4]+ 287.175393 180.0
[M+K]+ 308.104728 166.2
[M+H-H2O]+ 252.138830 155.3
[M+HCOO]- 314.139771 188.5
[M+CH3COO]- 328.155421 202.7
[M+Na-2H]- 290.116236 168.8
[M]+ 269.14102142 166.0
[M]- 269.14211858 166.0
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

patents stripe