CID 25210479

N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide

Structural Information

Molecular Formula
C15H13Br2NO3
SMILES
CC1=CC(=CC(=C1O)C)C(=O)NC2=CC(=C(C(=C2)Br)O)Br
InChI
InChI=1S/C15H13Br2NO3/c1-7-3-9(4-8(2)13(7)19)15(21)18-10-5-11(16)14(20)12(17)6-10/h3-6,19-20H,1-2H3,(H,18,21)
InChIKey
HHFKUQZPNITQLU-UHFFFAOYSA-N
Compound name
N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

412.9262 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.93348 167.9
[M+Na]+ 435.91542 177.4
[M-H]- 411.91892 175.0
[M+NH4]+ 430.96002 182.0
[M+K]+ 451.88936 161.0
[M+H-H2O]+ 395.92346 173.6
[M+HCOO]- 457.92440 181.4
[M+CH3COO]- 471.94005 220.0
[M+Na-2H]- 433.90087 170.0
[M]+ 412.92565 201.2
[M]- 412.92675 201.2
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