CID 22830

Citrus red 2

Structural Information

Molecular Formula
C18H16N2O3
SMILES
COC1=CC(=C(C=C1)OC)N=NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C18H16N2O3/c1-22-13-8-10-17(23-2)15(11-13)19-20-18-14-6-4-3-5-12(14)7-9-16(18)21/h3-11,21H,1-2H3
InChIKey
GJUABKCEXOMRPQ-UHFFFAOYSA-N
Compound name
1-[(2,5-dimethoxyphenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

5
References

1866
Patents

308.1161 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 169.2
[M+Na]+ 331.10532 177.8
[M-H]- 307.10882 178.7
[M+NH4]+ 326.14992 185.3
[M+K]+ 347.07926 174.6
[M+H-H2O]+ 291.11336 160.0
[M+HCOO]- 353.11430 196.2
[M+CH3COO]- 367.12995 213.6
[M+Na-2H]- 329.09077 176.8
[M]+ 308.11555 173.8
[M]- 308.11665 173.8
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