CID 5261870

N-(2,6-dichlorophenyl)-2,3-diphenyl-quinoxaline-6-carboxamide

Structural Information

Molecular Formula
C27H17Cl2N3O
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC=C4Cl)Cl)N=C2C5=CC=CC=C5
InChI
InChI=1S/C27H17Cl2N3O/c28-20-12-7-13-21(29)26(20)32-27(33)19-14-15-22-23(16-19)31-25(18-10-5-2-6-11-18)24(30-22)17-8-3-1-4-9-17/h1-16H,(H,32,33)
InChIKey
CWHSCFPGZWGSEV-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2,3-diphenylquinoxaline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.07486 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.08214 211.3
[M+Na]+ 492.06408 220.3
[M-H]- 468.06758 220.5
[M+NH4]+ 487.10868 217.6
[M+K]+ 508.03802 210.2
[M+H-H2O]+ 452.07212 198.2
[M+HCOO]- 514.07306 220.7
[M+CH3COO]- 528.08871 218.8
[M+Na-2H]- 490.04953 214.6
[M]+ 469.07431 214.2
[M]- 469.07541 214.2
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.