CID 5185189

763130-01-4

Structural Information

Molecular Formula
C20H25NO2
SMILES
COC1=CC(=C(C=C1)CNC2=CC=C(C=C2)C3CCCCC3)O
InChI
InChI=1S/C20H25NO2/c1-23-19-12-9-17(20(22)13-19)14-21-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h7-13,15,21-22H,2-6,14H2,1H3
InChIKey
RUQFEMJLVZYEGZ-UHFFFAOYSA-N
Compound name
2-[(4-cyclohexylanilino)methyl]-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.18854 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 174.7
[M+Na]+ 334.17776 178.2
[M-H]- 310.18126 182.0
[M+NH4]+ 329.22236 187.8
[M+K]+ 350.15170 173.2
[M+H-H2O]+ 294.18580 165.5
[M+HCOO]- 356.18674 194.0
[M+CH3COO]- 370.20239 207.0
[M+Na-2H]- 332.16321 176.9
[M]+ 311.18799 170.3
[M]- 311.18909 170.3
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

No patent data available for this compound.