CID 9575583

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

Structural Information

Molecular Formula
C25H22N4O2
SMILES
C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3N=C2N/N=C(\CC4=CC=CC=C4)/C(=O)O
InChI
InChI=1S/C25H22N4O2/c30-25(31)23(17-19-11-5-2-6-12-19)28-29-24-22(16-15-18-9-3-1-4-10-18)26-20-13-7-8-14-21(20)27-24/h1-14H,15-17H2,(H,27,29)(H,30,31)/b28-23+
InChIKey
JIDTUOFFMAWQQU-WEMUOSSPSA-N
Compound name
(2E)-3-phenyl-2-[[3-(2-phenylethyl)quinoxalin-2-yl]hydrazinylidene]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1743 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18158 197.9
[M+Na]+ 433.16352 201.7
[M-H]- 409.16702 204.6
[M+NH4]+ 428.20812 204.5
[M+K]+ 449.13746 194.9
[M+H-H2O]+ 393.17156 185.2
[M+HCOO]- 455.17250 217.3
[M+CH3COO]- 469.18815 205.2
[M+Na-2H]- 431.14897 203.7
[M]+ 410.17375 196.9
[M]- 410.17485 196.9
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.