CID 2788685

2-methoxyethyl 4-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}benzoate

Structural Information

Molecular Formula
C20H22ClNO5
SMILES
CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCCOC
InChI
InChI=1S/C20H22ClNO5/c1-13-12-16(21)6-9-18(13)27-14(2)19(23)22-17-7-4-15(5-8-17)20(24)26-11-10-25-3/h4-9,12,14H,10-11H2,1-3H3,(H,22,23)
InChIKey
OPVHOQQHGWOSII-UHFFFAOYSA-N
Compound name
2-methoxyethyl 4-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.11865 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12593 189.9
[M+Na]+ 414.10787 195.9
[M-H]- 390.11137 196.5
[M+NH4]+ 409.15247 201.8
[M+K]+ 430.08181 192.6
[M+H-H2O]+ 374.11591 182.0
[M+HCOO]- 436.11685 207.3
[M+CH3COO]- 450.13250 222.0
[M+Na-2H]- 412.09332 189.4
[M]+ 391.11810 197.8
[M]- 391.11920 197.8
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.