CID 135612762

1533-64-8

Structural Information

Molecular Formula
C16H14N3O
SMILES
C[N+]1=CC=CC(=C1)N=NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C16H13N3O/c1-19-10-4-6-13(11-19)17-18-16-14-7-3-2-5-12(14)8-9-15(16)20/h2-11H,1H3/p+1
InChIKey
SHOVPZAWCWWBNU-UHFFFAOYSA-O
Compound name
1-[(1-methylpyridin-1-ium-3-yl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.11368 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12096 160.2
[M+Na]+ 287.10290 168.8
[M-H]- 263.10640 168.5
[M+NH4]+ 282.14750 176.3
[M+K]+ 303.07684 158.7
[M+H-H2O]+ 247.11094 153.5
[M+HCOO]- 309.11188 185.8
[M+CH3COO]- 323.12753 197.9
[M+Na-2H]- 285.08835 171.8
[M]+ 264.11313 160.2
[M]- 264.11423 160.2
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