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]+ 284.128126 166.0
[M+Na]+ 306.110068 171.2
[M-H]- 282.113574 172.3
[M+NH4]+ 301.154673 180.9
[M+K]+ 322.084008 168.2
[M+H-H2O]+ 266.118110 157.6
[M+HCOO]- 328.119051 189.4
[M+CH3COO]- 342.134701 202.0
[M+Na-2H]- 304.095516 169.7
[M]+ 283.12030142 167.2
[M]- 283.12139858 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.