CID 77722

Methyl 4-acetamido-5-bromo-2-methoxybenzoate

Structural Information

Molecular Formula
C11H12BrNO4
SMILES
CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Br
InChI
InChI=1S/C11H12BrNO4/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
FCOKFEDHOPDIEH-UHFFFAOYSA-N
Compound name
methyl 4-acetamido-5-bromo-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

300.99496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.00224 155.4
[M+Na]+ 323.98418 157.0
[M+NH4]+ 319.02878 158.1
[M+K]+ 339.95812 158.8
[M-H]- 299.98768 154.7
[M+Na-2H]- 321.96963 156.8
[M]+ 300.99441 154.0
[M]- 300.99551 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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