CID 5081894

1-methoxy-4-(phenylazo)naphthalene

Structural Information

Molecular Formula
C17H14N2O
SMILES
COC1=CC=C(C2=CC=CC=C21)N=NC3=CC=CC=C3
InChI
InChI=1S/C17H14N2O/c1-20-17-12-11-16(14-9-5-6-10-15(14)17)19-18-13-7-3-2-4-8-13/h2-12H,1H3
InChIKey
DPJLHOWRSVQVIO-UHFFFAOYSA-N
Compound name
(4-methoxynaphthalen-1-yl)-phenyldiazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

262.11063 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 157.6
[M+Na]+ 285.099848 165.6
[M-H]- 261.103354 167.9
[M+NH4]+ 280.144453 175.8
[M+K]+ 301.073788 161.9
[M+H-H2O]+ 245.107890 148.5
[M+HCOO]- 307.108831 186.2
[M+CH3COO]- 321.124481 171.1
[M+Na-2H]- 283.085296 167.5
[M]+ 262.11008142 160.1
[M]- 262.11117858 160.1
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