CID 3091563

13107-66-9

Structural Information

Molecular Formula
C28H18N4S
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)SC4=CC=C(C=C4)C5=NC6=CC=CC=C6N=C5
InChI
InChI=1S/C28H18N4S/c1-3-7-25-23(5-1)29-17-27(31-25)19-9-13-21(14-10-19)33-22-15-11-20(12-16-22)28-18-30-24-6-2-4-8-26(24)32-28/h1-18H
InChIKey
IAIKJYKVDXQVPU-UHFFFAOYSA-N
Compound name
2-[4-(4-quinoxalin-2-ylphenyl)sulfanylphenyl]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.1252 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.13248 207.4
[M+Na]+ 465.11442 218.1
[M-H]- 441.11792 215.9
[M+NH4]+ 460.15902 212.5
[M+K]+ 481.08836 206.4
[M+H-H2O]+ 425.12246 193.3
[M+HCOO]- 487.12340 219.5
[M+CH3COO]- 501.13905 215.0
[M+Na-2H]- 463.09987 214.4
[M]+ 442.12465 209.0
[M]- 442.12575 209.0
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.