CID 111168

6201-72-5

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC2=C(C(=NC3=CC=C(C=C3)O)C=CC2=N)C(=C1)O
InChI
InChI=1S/C16H12N2O2/c17-13-8-9-14(16-12(13)2-1-3-15(16)20)18-10-4-6-11(19)7-5-10/h1-9,17,19-20H
InChIKey
ROPCFUSWBIYYNB-UHFFFAOYSA-N
Compound name
8-(4-hydroxyphenyl)imino-5-iminonaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.097146 156.7
[M+Na]+ 287.079088 164.9
[M-H]- 263.082594 163.6
[M+NH4]+ 282.123693 173.2
[M+K]+ 303.053028 159.3
[M+H-H2O]+ 247.087130 149.1
[M+HCOO]- 309.088071 180.1
[M+CH3COO]- 323.103721 168.7
[M+Na-2H]- 285.064536 163.6
[M]+ 264.08932142 153.6
[M]- 264.09041858 153.6
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

No patent data available for this compound.