CID 3043931

Propanamide, n-(4-(acetyloxy)phenyl)-2-(4-chlorophenoxy)-2-methyl-

Structural Information

Molecular Formula
C18H18ClNO4
SMILES
CC(=O)OC1=CC=C(C=C1)NC(=O)C(C)(C)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H18ClNO4/c1-12(21)23-15-10-6-14(7-11-15)20-17(22)18(2,3)24-16-8-4-13(19)5-9-16/h4-11H,1-3H3,(H,20,22)
InChIKey
QNQGUZROINIDPO-UHFFFAOYSA-N
Compound name
[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.09244 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09972 178.5
[M+Na]+ 370.08166 185.3
[M-H]- 346.08516 185.3
[M+NH4]+ 365.12626 192.2
[M+K]+ 386.05560 181.6
[M+H-H2O]+ 330.08970 171.4
[M+HCOO]- 392.09064 195.8
[M+CH3COO]- 406.10629 212.3
[M+Na-2H]- 368.06711 181.7
[M]+ 347.09189 183.9
[M]- 347.09299 183.9
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.