CID 6825

Copper pan

Structural Information

Molecular Formula
C15H11N3O
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=N3)O
InChI
InChI=1S/C15H11N3O/c19-13-9-8-11-5-1-2-6-12(11)15(13)18-17-14-7-3-4-10-16-14/h1-10,19H
InChIKey
LLYOXZQVOKALCD-UHFFFAOYSA-N
Compound name
1-(pyridin-2-yldiazenyl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

111
References

1257
Patents

249.09021 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.097486 152.9
[M+Na]+ 272.079428 161.4
[M-H]- 248.082934 160.7
[M+NH4]+ 267.124033 169.6
[M+K]+ 288.053368 157.0
[M+H-H2O]+ 232.087470 143.5
[M+HCOO]- 294.088411 179.3
[M+CH3COO]- 308.104061 165.8
[M+Na-2H]- 270.064876 163.7
[M]+ 249.08966142 153.4
[M]- 249.09075858 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