CID 9554611

2-pyridinecarboxaldehyde, o-(1-naphthylcarbamoyl)oxime

Structural Information

Molecular Formula
C17H13N3O2
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)O/N=C/C3=CC=CC=N3
InChI
InChI=1S/C17H13N3O2/c21-17(22-19-12-14-8-3-4-11-18-14)20-16-10-5-7-13-6-1-2-9-15(13)16/h1-12H,(H,20,21)/b19-12+
InChIKey
YJZMXEFEUCTOLS-XDHOZWIPSA-N
Compound name
[(E)-pyridin-2-ylmethylideneamino] N-naphthalen-1-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10077 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 164.4
[M+Na]+ 314.08999 171.0
[M-H]- 290.09349 171.7
[M+NH4]+ 309.13459 178.9
[M+K]+ 330.06393 166.7
[M+H-H2O]+ 274.09803 154.5
[M+HCOO]- 336.09897 189.6
[M+CH3COO]- 350.11462 175.9
[M+Na-2H]- 312.07544 173.8
[M]+ 291.10022 165.1
[M]- 291.10132 165.1
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.