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 185.1
[M+Na]+ 420.03759 191.5
[M-H]- 396.04109 191.0
[M+NH4]+ 415.08219 197.0
[M+K]+ 436.01153 187.3
[M+H-H2O]+ 380.04563 178.3
[M+HCOO]- 442.04657 198.3
[M+CH3COO]- 456.06222 218.9
[M+Na-2H]- 418.02304 185.8
[M]+ 397.04782 193.3
[M]- 397.04892 193.3
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

patents stripe