CID 2796351

Ccg-235297

Structural Information

Molecular Formula
C19H12N4O2S
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C3=CC(=C(C=C3)SC4=CC=CC=N4)[N+](=O)[O-]
InChI
InChI=1S/C19H12N4O2S/c24-23(25)17-11-13(8-9-18(17)26-19-7-3-4-10-20-19)16-12-21-14-5-1-2-6-15(14)22-16/h1-12H
InChIKey
SEKDEJAQNVOXMU-UHFFFAOYSA-N
Compound name
2-(3-nitro-4-pyridin-2-ylsulfanylphenyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

360.06808 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.075356 179.7
[M+Na]+ 383.057298 187.2
[M-H]- 359.060804 186.3
[M+NH4]+ 378.101903 187.9
[M+K]+ 399.031238 175.6
[M+H-H2O]+ 343.065340 172.6
[M+HCOO]- 405.066281 195.1
[M+CH3COO]- 419.081931 207.8
[M+Na-2H]- 381.042746 188.1
[M]+ 360.06753142 179.0
[M]- 360.06862858 179.0
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.