CID 3284449

763130-42-3

Structural Information

Molecular Formula
C20H24BrNO2
SMILES
COC1=CC(=CC(=C1O)CNC2=CC=C(C=C2)C3CCCCC3)Br
InChI
InChI=1S/C20H24BrNO2/c1-24-19-12-17(21)11-16(20(19)23)13-22-18-9-7-15(8-10-18)14-5-3-2-4-6-14/h7-12,14,22-23H,2-6,13H2,1H3
InChIKey
PSWPQJDZLHZLPF-UHFFFAOYSA-N
Compound name
4-bromo-2-[(4-cyclohexylanilino)methyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.09903 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10631 187.4
[M+Na]+ 412.08825 194.1
[M-H]- 388.09175 196.8
[M+NH4]+ 407.13285 201.3
[M+K]+ 428.06219 181.3
[M+H-H2O]+ 372.09629 184.5
[M+HCOO]- 434.09723 204.0
[M+CH3COO]- 448.11288 216.2
[M+Na-2H]- 410.07370 189.3
[M]+ 389.09848 202.0
[M]- 389.09958 202.0
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.