CID 117842

26692-46-6

Structural Information

Molecular Formula
C14H18ClNO4
SMILES
CC(=O)OCCN(CCOC(=O)C)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C14H18ClNO4/c1-11(17)19-8-6-16(7-9-20-12(2)18)14-5-3-4-13(15)10-14/h3-5,10H,6-9H2,1-2H3
InChIKey
XLWDHQUMQZTMRU-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-3-chloroanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

299.09244 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09972 165.9
[M+Na]+ 322.08166 176.4
[M+NH4]+ 317.12626 172.1
[M+K]+ 338.05560 171.0
[M-H]- 298.08516 166.7
[M+Na-2H]- 320.06711 170.4
[M]+ 299.09189 167.6
[M]- 299.09299 167.6
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