CID 10883406

N-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-n-[2-(4-hydroxyphenyl)ethyl]formamide

Structural Information

Molecular Formula
C17H18BrNO4
SMILES
COC1=C(C=C(C(=C1)Br)CN(CCC2=CC=C(C=C2)O)C=O)O
InChI
InChI=1S/C17H18BrNO4/c1-23-17-9-15(18)13(8-16(17)22)10-19(11-20)7-6-12-2-4-14(21)5-3-12/h2-5,8-9,11,21-22H,6-7,10H2,1H3
InChIKey
WZPIJXQLACAELC-UHFFFAOYSA-N
Compound name
N-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

379.04193 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.04921 178.5
[M+Na]+ 402.03115 187.8
[M-H]- 378.03465 186.2
[M+NH4]+ 397.07575 193.2
[M+K]+ 418.00509 176.3
[M+H-H2O]+ 362.03919 175.8
[M+HCOO]- 424.04013 198.3
[M+CH3COO]- 438.05578 214.8
[M+Na-2H]- 400.01660 181.5
[M]+ 379.04138 200.0
[M]- 379.04248 200.0
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