CID 3018220

71662-31-2

Structural Information

Molecular Formula
C16H13NO2
SMILES
C1=CC=C2C(=C1)C(=CC=C2O)NC3=CC=C(C=C3)O
InChI
InChI=1S/C16H13NO2/c18-12-7-5-11(6-8-12)17-15-9-10-16(19)14-4-2-1-3-13(14)15/h1-10,17-19H
InChIKey
JHZVBYOUVQPKER-UHFFFAOYSA-N
Compound name
4-(4-hydroxyanilino)naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

251.09464 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.101916 153.9
[M+Na]+ 274.083858 162.1
[M-H]- 250.087364 159.4
[M+NH4]+ 269.128463 170.5
[M+K]+ 290.057798 156.5
[M+H-H2O]+ 234.091900 146.7
[M+HCOO]- 296.092841 175.8
[M+CH3COO]- 310.108491 165.9
[M+Na-2H]- 272.069306 161.7
[M]+ 251.09409142 152.2
[M]- 251.09518858 152.2
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