CID 104564

2-(n-ethyl-4-formylanilino)ethyl benzoate

Structural Information

Molecular Formula
C18H19NO3
SMILES
CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C18H19NO3/c1-2-19(17-10-8-15(14-20)9-11-17)12-13-22-18(21)16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3
InChIKey
TYZURZJBRCXDGB-UHFFFAOYSA-N
Compound name
2-(N-ethyl-4-formylanilino)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

297.1365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 170.2
[M+Na]+ 320.125718 175.4
[M-H]- 296.129224 177.7
[M+NH4]+ 315.170323 185.2
[M+K]+ 336.099658 172.9
[M+H-H2O]+ 280.133760 161.3
[M+HCOO]- 342.134701 194.8
[M+CH3COO]- 356.150351 208.1
[M+Na-2H]- 318.111166 173.8
[M]+ 297.13595142 173.7
[M]- 297.13704858 173.7
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

patents stripe