CID 3869274

763130-62-7

Structural Information

Molecular Formula
C20H18BrNO3
SMILES
COC1=CC(=CC(=C1O)CNC2=CC=C(C=C2)OC3=CC=CC=C3)Br
InChI
InChI=1S/C20H18BrNO3/c1-24-19-12-15(21)11-14(20(19)23)13-22-16-7-9-18(10-8-16)25-17-5-3-2-4-6-17/h2-12,22-23H,13H2,1H3
InChIKey
BOXWNDGPDYSFMB-UHFFFAOYSA-N
Compound name
4-bromo-2-methoxy-6-[(4-phenoxyanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.047 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.05428 185.9
[M+Na]+ 422.03622 195.1
[M-H]- 398.03972 196.4
[M+NH4]+ 417.08082 199.5
[M+K]+ 438.01016 182.7
[M+H-H2O]+ 382.04426 182.6
[M+HCOO]- 444.04520 206.6
[M+CH3COO]- 458.06085 217.2
[M+Na-2H]- 420.02167 190.7
[M]+ 399.04645 205.7
[M]- 399.04755 205.7
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.