CID 488817

2-benzyl-3-(3,5-dimethyl-1h-pyrazol-1-yl)quinoxaline

Structural Information

Molecular Formula
C20H18N4
SMILES
CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2CC4=CC=CC=C4)C
InChI
InChI=1S/C20H18N4/c1-14-12-15(2)24(23-14)20-19(13-16-8-4-3-5-9-16)21-17-10-6-7-11-18(17)22-20/h3-12H,13H2,1-2H3
InChIKey
ZSSYGTZMTUWITI-UHFFFAOYSA-N
Compound name
2-benzyl-3-(3,5-dimethylpyrazol-1-yl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.15314 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16042 177.5
[M+Na]+ 337.14236 188.8
[M-H]- 313.14586 183.7
[M+NH4]+ 332.18696 189.3
[M+K]+ 353.11630 180.8
[M+H-H2O]+ 297.15040 165.7
[M+HCOO]- 359.15134 197.3
[M+CH3COO]- 373.16699 188.5
[M+Na-2H]- 335.12781 182.4
[M]+ 314.15259 180.2
[M]- 314.15369 180.2
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.