CID 77721

Methyl 4-acetamido-5-chloro-2-methoxybenzoate

Structural Information

Molecular Formula
C11H12ClNO4
SMILES
CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Cl
InChI
InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
InChIKey
OUEXNQRVYGYGIK-UHFFFAOYSA-N
Compound name
methyl 4-acetamido-5-chloro-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

261
Patents

257.04547 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05275 152.7
[M+Na]+ 280.03469 164.4
[M+NH4]+ 275.07929 159.2
[M+K]+ 296.00863 159.6
[M-H]- 256.03819 153.4
[M+Na-2H]- 278.02014 157.3
[M]+ 257.04492 154.6
[M]- 257.04602 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe