CID 9579550

Niosh/ns1241000

Structural Information

Molecular Formula
C20H15N3O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)/C=N/NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C20H15N3O2/c24-19(14-22-23-20(25)18-10-12-21-13-11-18)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,23,25)/b22-14+
InChIKey
HUTFEOSLSHBDDV-HYARGMPZSA-N
Compound name
N-[(E)-[2-oxo-2-(4-phenylphenyl)ethylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.11642 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12370 177.0
[M+Na]+ 352.10564 182.0
[M-H]- 328.10914 186.2
[M+NH4]+ 347.15024 188.2
[M+K]+ 368.07958 177.0
[M+H-H2O]+ 312.11368 165.9
[M+HCOO]- 374.11462 201.7
[M+CH3COO]- 388.13027 214.3
[M+Na-2H]- 350.09109 182.9
[M]+ 329.11587 176.0
[M]- 329.11697 176.0
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.