CID 2363814

4-{[(4-bromophenyl)carbamoyl]methoxy}-3-methoxybenzoic acid

Structural Information

Molecular Formula
C16H14BrNO5
SMILES
COC1=C(C=CC(=C1)C(=O)O)OCC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H14BrNO5/c1-22-14-8-10(16(20)21)2-7-13(14)23-9-15(19)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
InChIKey
UWMJJAHTINDZCS-UHFFFAOYSA-N
Compound name
4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.00555 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.01283 175.4
[M+Na]+ 401.99477 184.1
[M-H]- 377.99827 183.0
[M+NH4]+ 397.03937 189.6
[M+K]+ 417.96871 173.4
[M+H-H2O]+ 362.00281 172.7
[M+HCOO]- 424.00375 195.1
[M+CH3COO]- 438.01940 212.4
[M+Na-2H]- 399.98022 178.7
[M]+ 379.00500 196.2
[M]- 379.00610 196.2
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.