CID 6390880

(e)-4-(2-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]+ 298.118606 167.8
[M+Na]+ 320.100548 171.5
[M-H]- 296.104054 172.5
[M+NH4]+ 315.145153 179.9
[M+K]+ 336.074488 168.5
[M+H-H2O]+ 280.108590 158.2
[M+HCOO]- 342.109531 190.5
[M+CH3COO]- 356.125181 205.7
[M+Na-2H]- 318.085996 172.3
[M]+ 297.11078142 166.7
[M]- 297.11187858 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.