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

4
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 166.6
[M+Na]+ 322.08166 172.9
[M-H]- 298.08516 171.2
[M+NH4]+ 317.12626 183.0
[M+K]+ 338.05560 171.1
[M+H-H2O]+ 282.08970 160.2
[M+HCOO]- 344.09064 186.0
[M+CH3COO]- 358.10629 206.3
[M+Na-2H]- 320.06711 168.3
[M]+ 299.09189 174.4
[M]- 299.09299 174.4
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