CID 556235

789-58-2

Structural Information

Molecular Formula
C16H12N2O
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=CC=N3)O
InChI
InChI=1S/C16H12N2O/c19-15-9-8-12-5-1-2-6-13(12)14(15)11-18-16-7-3-4-10-17-16/h1-11,19H
InChIKey
VXEIALPYLNOWSH-UHFFFAOYSA-N
Compound name
1-(pyridin-2-yliminomethyl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.09496 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 154.5
[M+Na]+ 271.08418 163.0
[M-H]- 247.08768 160.9
[M+NH4]+ 266.12878 170.9
[M+K]+ 287.05812 157.5
[M+H-H2O]+ 231.09222 145.6
[M+HCOO]- 293.09316 178.1
[M+CH3COO]- 307.10881 166.9
[M+Na-2H]- 269.06963 163.8
[M]+ 248.09441 154.2
[M]- 248.09551 154.2
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