CID 254079

6,7-dimethyl-2,3-diphenylquinoxaline

Structural Information

Molecular Formula
C22H18N2
SMILES
CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2/c1-15-13-19-20(14-16(15)2)24-22(18-11-7-4-8-12-18)21(23-19)17-9-5-3-6-10-17/h3-14H,1-2H3
InChIKey
IEAJHLSDPVLRQQ-UHFFFAOYSA-N
Compound name
6,7-dimethyl-2,3-diphenylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

310.147 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.154276 177.1
[M+Na]+ 333.136218 186.6
[M-H]- 309.139724 185.1
[M+NH4]+ 328.180823 189.7
[M+K]+ 349.110158 178.7
[M+H-H2O]+ 293.144260 165.6
[M+HCOO]- 355.145201 196.7
[M+CH3COO]- 369.160851 187.9
[M+Na-2H]- 331.121666 183.2
[M]+ 310.14645142 177.0
[M]- 310.14754858 177.0
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

patents stripe