CID 73745

Einecs 216-246-9

Structural Information

Molecular Formula
C15H11N3O
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CN=CC=C3)O
InChI
InChI=1S/C15H11N3O/c19-14-8-7-11-4-1-2-6-13(11)15(14)18-17-12-5-3-9-16-10-12/h1-10,19H
InChIKey
TYRCKEFIYKISNH-UHFFFAOYSA-N
Compound name
1-(pyridin-3-yldiazenyl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

249.09021 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09749 152.9
[M+Na]+ 272.07943 161.4
[M-H]- 248.08293 160.7
[M+NH4]+ 267.12403 169.6
[M+K]+ 288.05337 157.0
[M+H-H2O]+ 232.08747 143.5
[M+HCOO]- 294.08841 179.3
[M+CH3COO]- 308.10406 165.8
[M+Na-2H]- 270.06488 163.7
[M]+ 249.08966 153.4
[M]- 249.09076 153.4
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