CID 488818

Quinoxaline, 2-(3,5-dimethyl-1h-pyrazol-1-yl)-3-(2-phenylethyl)-

Structural Information

Molecular Formula
C21H20N4
SMILES
CC1=CC(=NN1C2=NC3=CC=CC=C3N=C2CCC4=CC=CC=C4)C
InChI
InChI=1S/C21H20N4/c1-15-14-16(2)25(24-15)21-20(13-12-17-8-4-3-5-9-17)22-18-10-6-7-11-19(18)23-21/h3-11,14H,12-13H2,1-2H3
InChIKey
XWDGTWRDBOPEKP-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)-3-(2-phenylethyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1688 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17608 182.0
[M+Na]+ 351.15802 192.8
[M-H]- 327.16152 188.0
[M+NH4]+ 346.20262 193.2
[M+K]+ 367.13196 184.5
[M+H-H2O]+ 311.16606 169.9
[M+HCOO]- 373.16700 201.4
[M+CH3COO]- 387.18265 192.5
[M+Na-2H]- 349.14347 186.3
[M]+ 328.16825 184.9
[M]- 328.16935 184.9
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.