CID 2817452

1-[2-(4-butylphenyl)diaz-1-enyl]-2-naphthol

Structural Information

Molecular Formula
C20H20N2O
SMILES
CCCCC1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C20H20N2O/c1-2-3-6-15-9-12-17(13-10-15)21-22-20-18-8-5-4-7-16(18)11-14-19(20)23/h4-5,7-14,23H,2-3,6H2,1H3
InChIKey
LHQOLHKCYHBVAC-UHFFFAOYSA-N
Compound name
1-[(4-butylphenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

304.15756 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.164836 171.8
[M+Na]+ 327.146778 178.9
[M-H]- 303.150284 180.5
[M+NH4]+ 322.191383 187.9
[M+K]+ 343.120718 173.7
[M+H-H2O]+ 287.154820 162.5
[M+HCOO]- 349.155761 197.8
[M+CH3COO]- 363.171411 214.0
[M+Na-2H]- 325.132226 178.9
[M]+ 304.15701142 173.8
[M]- 304.15810858 173.8
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

No patent data available for this compound.