CID 28884

18102-15-3

Structural Information

Molecular Formula
C19H25NO2
SMILES
CCCCCCC1=CC(=C(C=C1)O)CNC2=CC=CC=C2O
InChI
InChI=1S/C19H25NO2/c1-2-3-4-5-8-15-11-12-18(21)16(13-15)14-20-17-9-6-7-10-19(17)22/h6-7,9-13,20-22H,2-5,8,14H2,1H3
InChIKey
OQCNEJQPPSJHSO-UHFFFAOYSA-N
Compound name
4-hexyl-2-[(2-hydroxyanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 173.1
[M+Na]+ 322.17776 178.5
[M-H]- 298.18126 176.8
[M+NH4]+ 317.22236 186.9
[M+K]+ 338.15170 172.8
[M+H-H2O]+ 282.18580 165.2
[M+HCOO]- 344.18674 194.2
[M+CH3COO]- 358.20239 204.5
[M+Na-2H]- 320.16321 175.8
[M]+ 299.18799 173.6
[M]- 299.18909 173.6
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.