CID 6823

85-82-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

276.12625 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 163.0
[M+Na]+ 299.11547 172.0
[M-H]- 275.11897 172.6
[M+NH4]+ 294.16007 180.6
[M+K]+ 315.08941 167.4
[M+H-H2O]+ 259.12351 154.4
[M+HCOO]- 321.12445 189.7
[M+CH3COO]- 335.14010 176.1
[M+Na-2H]- 297.10092 170.5
[M]+ 276.12570 164.8
[M]- 276.12680 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

No literature data available for this compound.

Patent stripe

patents stripe