CID 5473489

2,3-bis(p-methoxystyryl)quinoxaline

Structural Information

Molecular Formula
C26H22N2O2
SMILES
COC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N=C2/C=C/C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H22N2O2/c1-29-21-13-7-19(8-14-21)11-17-25-26(28-24-6-4-3-5-23(24)27-25)18-12-20-9-15-22(30-2)16-10-20/h3-18H,1-2H3/b17-11+,18-12+
InChIKey
SYIXBDFCOLPXSD-JYFOCSDGSA-N
Compound name
2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

394.16812 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.175396 200.6
[M+Na]+ 417.157338 208.4
[M-H]- 393.160844 207.8
[M+NH4]+ 412.201943 209.3
[M+K]+ 433.131278 200.0
[M+H-H2O]+ 377.165380 187.8
[M+HCOO]- 439.166321 219.3
[M+CH3COO]- 453.181971 209.2
[M+Na-2H]- 415.142786 204.3
[M]+ 394.16757142 202.8
[M]- 394.16866858 202.8
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

patents stripe