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]+ 292.108046 164.4
[M+Na]+ 314.089988 171.0
[M-H]- 290.093494 171.7
[M+NH4]+ 309.134593 178.9
[M+K]+ 330.063928 166.7
[M+H-H2O]+ 274.098030 154.5
[M+HCOO]- 336.098971 189.6
[M+CH3COO]- 350.114621 175.9
[M+Na-2H]- 312.075436 173.8
[M]+ 291.10022142 165.1
[M]- 291.10131858 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.