CID 25210478

N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide

Structural Information

Molecular Formula
C15H13Br2NO2
SMILES
CC1=C(C(=CC=C1)C)C(=O)NC2=CC(=C(C(=C2)Br)O)Br
InChI
InChI=1S/C15H13Br2NO2/c1-8-4-3-5-9(2)13(8)15(20)18-10-6-11(16)14(19)12(17)7-10/h3-7,19H,1-2H3,(H,18,20)
InChIKey
IFECSMFQARKPSU-UHFFFAOYSA-N
Compound name
N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

396.9313 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.93858 165.5
[M+Na]+ 419.92052 175.2
[M-H]- 395.92402 173.6
[M+NH4]+ 414.96512 180.6
[M+K]+ 435.89446 158.8
[M+H-H2O]+ 379.92856 171.6
[M+HCOO]- 441.92950 180.2
[M+CH3COO]- 455.94515 219.1
[M+Na-2H]- 417.90597 168.6
[M]+ 396.93075 199.1
[M]- 396.93185 199.1
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