CID 81021

Solvent red 3

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CCOC1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)O
InChI
InChI=1S/C18H16N2O2/c1-2-22-14-9-7-13(8-10-14)19-20-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3
InChIKey
JSEYDVLGSMLKDL-UHFFFAOYSA-N
Compound name
4-[(4-ethoxyphenyl)diazenyl]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1281
Patents

292.1212 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 165.7
[M+Na]+ 315.110418 173.6
[M-H]- 291.113924 174.8
[M+NH4]+ 310.155023 182.2
[M+K]+ 331.084358 169.6
[M+H-H2O]+ 275.118460 156.6
[M+HCOO]- 337.119401 192.6
[M+CH3COO]- 351.135051 210.2
[M+Na-2H]- 313.095866 174.0
[M]+ 292.12065142 168.5
[M]- 292.12174858 168.5
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

patents stripe