CID 199506

4312-09-8

Structural Information

Molecular Formula
C15H11N3O
SMILES
C1=CC=C(C=C1)N=NC2=C3C=CC=NC3=C(C=C2)O
InChI
InChI=1S/C15H11N3O/c19-14-9-8-13(12-7-4-10-16-15(12)14)18-17-11-5-2-1-3-6-11/h1-10,19H
InChIKey
NZQIIFNACVSQRR-UHFFFAOYSA-N
Compound name
5-phenyldiazenylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

249.09021 Da
Monoisotopic Mass

4.0
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