CID 135400486

As-8351

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
2
Annotation Hits

31
References

67
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

literature stripe

Patent stripe

patents stripe