CID 46689

64047-33-2

Structural Information

Molecular Formula
C17H17NO3
SMILES
CCOC(=O)C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H17NO3/c1-2-21-17(20)14-10-8-13(9-11-14)12-16(19)18-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,18,19)
InChIKey
AZBSPPUTEVOLPQ-UHFFFAOYSA-N
Compound name
ethyl 4-(2-anilino-2-oxoethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 166.0
[M+Na]+ 306.11007 171.2
[M-H]- 282.11357 172.3
[M+NH4]+ 301.15467 180.9
[M+K]+ 322.08401 168.2
[M+H-H2O]+ 266.11811 157.6
[M+HCOO]- 328.11905 189.4
[M+CH3COO]- 342.13470 202.0
[M+Na-2H]- 304.09552 169.7
[M]+ 283.12030 167.2
[M]- 283.12140 167.2
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.