CID 2258349

5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid

Structural Information

Molecular Formula
C17H16BrNO4
SMILES
CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C17H16BrNO4/c1-2-9-23-13-6-3-11(4-7-13)16(20)19-15-8-5-12(18)10-14(15)17(21)22/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,22)
InChIKey
QSTMLQVXMZVHGY-UHFFFAOYSA-N
Compound name
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

377.02628 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.03356 177.9
[M+Na]+ 400.01550 186.4
[M-H]- 376.01900 185.4
[M+NH4]+ 395.06010 192.3
[M+K]+ 415.98944 174.8
[M+H-H2O]+ 360.02354 175.3
[M+HCOO]- 422.02448 197.1
[M+CH3COO]- 436.04013 213.1
[M+Na-2H]- 398.00095 180.5
[M]+ 377.02573 197.7
[M]- 377.02683 197.7
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