CID 9575369

Ethyl (3e)-3-phenyl-3-[(3-phenylquinoxalin-2-yl)hydrazono]propanoate

Structural Information

Molecular Formula
C25H22N4O2
SMILES
CCOC(=O)C/C(=N\NC1=NC2=CC=CC=C2N=C1C3=CC=CC=C3)/C4=CC=CC=C4
InChI
InChI=1S/C25H22N4O2/c1-2-31-23(30)17-22(18-11-5-3-6-12-18)28-29-25-24(19-13-7-4-8-14-19)26-20-15-9-10-16-21(20)27-25/h3-16H,2,17H2,1H3,(H,27,29)/b28-22+
InChIKey
WHEABYMOVRMMEH-XAYXJRQQSA-N
Compound name
ethyl (3E)-3-phenyl-3-[(3-phenylquinoxalin-2-yl)hydrazinylidene]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.1743 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18158 199.1
[M+Na]+ 433.16352 203.5
[M-H]- 409.16702 207.2
[M+NH4]+ 428.20812 206.5
[M+K]+ 449.13746 197.3
[M+H-H2O]+ 393.17156 186.0
[M+HCOO]- 455.17250 219.9
[M+CH3COO]- 469.18815 207.0
[M+Na-2H]- 431.14897 205.1
[M]+ 410.17375 199.8
[M]- 410.17485 199.8
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.