CID 710567

Methyl 4-[(2-bromobenzoyl)amino]benzoate

Structural Information

Molecular Formula
C15H12BrNO3
SMILES
COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C15H12BrNO3/c1-20-15(19)10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,18)
InChIKey
IKJQHRCSOBEEBP-UHFFFAOYSA-N
Compound name
methyl 4-[(2-bromobenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

333.00006 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.007336 166.4
[M+Na]+ 355.989278 175.9
[M-H]- 331.992784 175.4
[M+NH4]+ 351.033883 183.2
[M+K]+ 371.963218 164.8
[M+H-H2O]+ 315.997320 164.4
[M+HCOO]- 377.998261 187.7
[M+CH3COO]- 392.013911 206.0
[M+Na-2H]- 353.974726 171.2
[M]+ 332.99951142 185.7
[M]- 333.00060858 185.7
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

patents stripe