CID 6390880

4-(isonicotinoylhydrazono)-4-phenylbutanoic acid

Structural Information

Molecular Formula
C16H15N3O3
SMILES
C1=CC=C(C=C1)/C(=N/NC(=O)C2=CC=NC=C2)/CCC(=O)O
InChI
InChI=1S/C16H15N3O3/c20-15(21)7-6-14(12-4-2-1-3-5-12)18-19-16(22)13-8-10-17-11-9-13/h1-5,8-11H,6-7H2,(H,19,22)(H,20,21)/b18-14+
InChIKey
KUKGXWMNCZIDQD-NBVRZTHBSA-N
Compound name
(4E)-4-phenyl-4-(pyridine-4-carbonylhydrazinylidene)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

297.11133 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 167.8
[M+Na]+ 320.10055 171.5
[M-H]- 296.10405 172.5
[M+NH4]+ 315.14515 179.9
[M+K]+ 336.07449 168.5
[M+H-H2O]+ 280.10859 158.2
[M+HCOO]- 342.10953 190.5
[M+CH3COO]- 356.12518 205.7
[M+Na-2H]- 318.08600 172.3
[M]+ 297.11078 166.7
[M]- 297.11188 166.7
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

No patent data available for this compound.