CID 45014

63887-01-4

Structural Information

Molecular Formula
C17H18BrNO4
SMILES
C1=CC=C(C=C1)C2=C(C(=CC(=C2)Br)C(=O)NCCO)OCCO
InChI
InChI=1S/C17H18BrNO4/c18-13-10-14(12-4-2-1-3-5-12)16(23-9-8-21)15(11-13)17(22)19-6-7-20/h1-5,10-11,20-21H,6-9H2,(H,19,22)
InChIKey
AFQKQSFAMSDDFK-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-hydroxyethoxy)-N-(2-hydroxyethyl)-3-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.04193 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.04921 179.3
[M+Na]+ 402.03115 187.4
[M-H]- 378.03465 185.3
[M+NH4]+ 397.07575 193.1
[M+K]+ 418.00509 174.9
[M+H-H2O]+ 362.03919 176.7
[M+HCOO]- 424.04013 197.8
[M+CH3COO]- 438.05578 210.8
[M+Na-2H]- 400.01660 182.5
[M]+ 379.04138 198.6
[M]- 379.04248 198.6
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.