CID 5752845

N'-(1-phenylethylidene)isonicotinohydrazide

Structural Information

Molecular Formula
C14H13N3O
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=CC=C2
InChI
InChI=1S/C14H13N3O/c1-11(12-5-3-2-4-6-12)16-17-14(18)13-7-9-15-10-8-13/h2-10H,1H3,(H,17,18)/b16-11+
InChIKey
KBNUSICRUXGHRJ-LFIBNONCSA-N
Compound name
N-[(E)-1-phenylethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

239.10587 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 153.7
[M+Na]+ 262.09509 159.1
[M-H]- 238.09859 160.1
[M+NH4]+ 257.13969 169.3
[M+K]+ 278.06903 156.1
[M+H-H2O]+ 222.10313 144.5
[M+HCOO]- 284.10407 179.0
[M+CH3COO]- 298.11972 197.8
[M+Na-2H]- 260.08054 160.9
[M]+ 239.10532 152.3
[M]- 239.10642 152.3
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