CID 18386

Sudan ii

Structural Information

Molecular Formula
C18H16N2O
SMILES
CC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O)C
InChI
InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,21H,1-2H3
InChIKey
JBTHDAVBDKKSRW-UHFFFAOYSA-N
Compound name
1-[(2,4-dimethylphenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

96
References

9567
Patents

276.12625 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.133526 163.0
[M+Na]+ 299.115468 172.0
[M-H]- 275.118974 172.6
[M+NH4]+ 294.160073 180.6
[M+K]+ 315.089408 167.4
[M+H-H2O]+ 259.123510 154.4
[M+HCOO]- 321.124451 189.7
[M+CH3COO]- 335.140101 176.1
[M+Na-2H]- 297.100916 170.5
[M]+ 276.12570142 164.8
[M]- 276.12679858 164.8
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