CID 6532655

Ethyl (3z)-3-[(3-phenylquinoxalin-2-yl)hydrazono]butanoate

Structural Information

Molecular Formula
C20H20N4O2
SMILES
CCOC(=O)C/C(=N\NC1=NC2=CC=CC=C2N=C1C3=CC=CC=C3)/C
InChI
InChI=1S/C20H20N4O2/c1-3-26-18(25)13-14(2)23-24-20-19(15-9-5-4-6-10-15)21-16-11-7-8-12-17(16)22-20/h4-12H,3,13H2,1-2H3,(H,22,24)/b23-14-
InChIKey
DXJJCMLNTAVDDO-UCQKPKSFSA-N
Compound name
ethyl (3Z)-3-[(3-phenylquinoxalin-2-yl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.15863 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16591 183.3
[M+Na]+ 371.14785 188.9
[M-H]- 347.15135 188.9
[M+NH4]+ 366.19245 194.1
[M+K]+ 387.12179 184.3
[M+H-H2O]+ 331.15589 172.0
[M+HCOO]- 393.15683 204.9
[M+CH3COO]- 407.17248 220.6
[M+Na-2H]- 369.13330 189.3
[M]+ 348.15808 185.2
[M]- 348.15918 185.2
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.