CID 486236

1-benzyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline

Structural Information

Molecular Formula
C22H16N4
SMILES
C1=CC=C(C=C1)CC2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5
InChI
InChI=1S/C22H16N4/c1-3-9-16(10-4-1)15-20-24-25-22-21(17-11-5-2-6-12-17)23-18-13-7-8-14-19(18)26(20)22/h1-14H,15H2
InChIKey
HNVNQGGIWVLRSX-UHFFFAOYSA-N
Compound name
1-benzyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.13748 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14476 181.6
[M+Na]+ 359.12670 192.2
[M-H]- 335.13020 188.2
[M+NH4]+ 354.17130 192.7
[M+K]+ 375.10064 183.0
[M+H-H2O]+ 319.13474 168.9
[M+HCOO]- 381.13568 200.2
[M+CH3COO]- 395.15133 191.7
[M+Na-2H]- 357.11215 188.7
[M]+ 336.13693 183.0
[M]- 336.13803 183.0
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.