CID 6067900

(2e)-2-[(3-benzylquinoxalin-2-yl)hydrazono]-3-phenyl-propanoic acid

Structural Information

Molecular Formula
C24H20N4O2
SMILES
C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2N/N=C(\CC4=CC=CC=C4)/C(=O)O
InChI
InChI=1S/C24H20N4O2/c29-24(30)22(16-18-11-5-2-6-12-18)27-28-23-21(15-17-9-3-1-4-10-17)25-19-13-7-8-14-20(19)26-23/h1-14H,15-16H2,(H,26,28)(H,29,30)/b27-22+
InChIKey
IKZPTSSNSZLPCT-HPNDGRJYSA-N
Compound name
(2E)-2-[(3-benzylquinoxalin-2-yl)hydrazinylidene]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.15863 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16591 193.6
[M+Na]+ 419.14785 197.9
[M-H]- 395.15135 200.6
[M+NH4]+ 414.19245 200.8
[M+K]+ 435.12179 191.3
[M+H-H2O]+ 379.15589 181.2
[M+HCOO]- 441.15683 213.3
[M+CH3COO]- 455.17248 201.4
[M+Na-2H]- 417.13330 199.9
[M]+ 396.15808 192.4
[M]- 396.15918 192.4
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.