CID 205498

4-hexyl-6-((o-hydroxyphenyl)azo)resorcinol

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CCCCCCC1=CC(=C(C=C1O)O)N=NC2=CC=CC=C2O
InChI
InChI=1S/C18H22N2O3/c1-2-3-4-5-8-13-11-15(18(23)12-17(13)22)20-19-14-9-6-7-10-16(14)21/h6-7,9-12,21-23H,2-5,8H2,1H3
InChIKey
LCMDBNVUHADNKJ-UHFFFAOYSA-N
Compound name
4-hexyl-6-[(2-hydroxyphenyl)diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 174.4
[M+Na]+ 337.15228 180.8
[M-H]- 313.15578 179.9
[M+NH4]+ 332.19688 188.0
[M+K]+ 353.12622 176.4
[M+H-H2O]+ 297.16032 165.9
[M+HCOO]- 359.16126 198.7
[M+CH3COO]- 373.17691 211.1
[M+Na-2H]- 335.13773 177.7
[M]+ 314.16251 176.6
[M]- 314.16361 176.6
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.