CID 365576

Nsc633371

Structural Information

Molecular Formula
C24H16N6O
SMILES
CC1=CC(=CC=C1)C2=NN=C(O2)C3=NN(C4=NC5=CC=CC=C5N=C34)C6=CC=CC=C6
InChI
InChI=1S/C24H16N6O/c1-15-8-7-9-16(14-15)23-27-28-24(31-23)21-20-22(26-19-13-6-5-12-18(19)25-20)30(29-21)17-10-3-2-4-11-17/h2-14H,1H3
InChIKey
XIEXTQNMGMAECE-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-5-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.13855 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.14583 197.1
[M+Na]+ 427.12777 210.4
[M-H]- 403.13127 206.7
[M+NH4]+ 422.17237 203.3
[M+K]+ 443.10171 201.8
[M+H-H2O]+ 387.13581 184.0
[M+HCOO]- 449.13675 214.5
[M+CH3COO]- 463.15240 206.9
[M+Na-2H]- 425.11322 200.5
[M]+ 404.13800 202.3
[M]- 404.13910 202.3
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.