CID 29521

19249-34-4

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CC(=O)OCCN(CCOC(=O)C)C1=CC=CC=C1

InChI

InChI=1S/C14H19NO4/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3

InChIKey

XQGHEXBVXWBMGC-UHFFFAOYSA-N

Compound name

2-[N-(2-acetyloxyethyl)anilino]ethyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 117
Patents: 265.1314 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.13868	161.4
[M+Na]+	288.12062	170.7
[M+NH4]+	283.16522	167.4
[M+K]+	304.09456	166.0
[M-H]-	264.12412	162.1
[M+Na-2H]-	286.10607	166.0
[M]+	265.13085	162.6
[M]-	265.13195	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe