CID 4260330

4-bromo-2-{[(4-ethoxyphenyl)amino]methyl}-6-methoxyphenol

Structural Information

Molecular Formula
C16H18BrNO3
SMILES
CCOC1=CC=C(C=C1)NCC2=C(C(=CC(=C2)Br)OC)O
InChI
InChI=1S/C16H18BrNO3/c1-3-21-14-6-4-13(5-7-14)18-10-11-8-12(17)9-15(20-2)16(11)19/h4-9,18-19H,3,10H2,1-2H3
InChIKey
KXGFDHDFERKJFY-UHFFFAOYSA-N
Compound name
4-bromo-2-[(4-ethoxyanilino)methyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.047 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.05428 172.5
[M+Na]+ 374.03622 182.6
[M-H]- 350.03972 180.4
[M+NH4]+ 369.08082 188.7
[M+K]+ 390.01016 170.7
[M+H-H2O]+ 334.04426 170.2
[M+HCOO]- 396.04520 193.4
[M+CH3COO]- 410.06085 209.8
[M+Na-2H]- 372.02167 177.2
[M]+ 351.04645 193.7
[M]- 351.04755 193.7
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.