CID 3045020

Acetamide, n-(2-(acetyloxy)ethyl)-2,2-bis(4-chlorophenoxy)-

Structural Information

Molecular Formula
C18H17Cl2NO5
SMILES
CC(=O)OCCNC(=O)C(OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H17Cl2NO5/c1-12(22)24-11-10-21-17(23)18(25-15-6-2-13(19)3-7-15)26-16-8-4-14(20)5-9-16/h2-9,18H,10-11H2,1H3,(H,21,23)
InChIKey
BHBVVJDGBBTNKE-UHFFFAOYSA-N
Compound name
2-[[2,2-bis(4-chlorophenoxy)acetyl]amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.04837 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.05565 186.4
[M+Na]+ 420.03759 198.9
[M+NH4]+ 415.08219 192.4
[M+K]+ 436.01153 192.4
[M-H]- 396.04109 188.9
[M+Na-2H]- 418.02304 192.8
[M]+ 397.04782 189.3
[M]- 397.04892 189.3
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.