CID 135400486

796-42-9

Structural Information

Molecular Formula
C17H13N3O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC=NC=C3)O
InChI
InChI=1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22)/b19-11+
InChIKey
WQSHHAVECQJKLX-YBFXNURJSA-N
Compound name
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

31
References

101
Patents

291.10077 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 164.7
[M+Na]+ 314.08999 171.7
[M-H]- 290.09349 171.0
[M+NH4]+ 309.13459 178.8
[M+K]+ 330.06393 166.7
[M+H-H2O]+ 274.09803 155.3
[M+HCOO]- 336.09897 188.3
[M+CH3COO]- 350.11462 175.8
[M+Na-2H]- 312.07544 173.0
[M]+ 291.10022 164.1
[M]- 291.10132 164.1
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.