CID 365577

Nsc633372

Structural Information

Molecular Formula
C23H13ClN6O
SMILES
C1=CC=C(C=C1)N2C3=NC4=CC=CC=C4N=C3C(=N2)C5=NN=C(O5)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C23H13ClN6O/c24-15-12-10-14(11-13-15)22-27-28-23(31-22)20-19-21(26-18-9-5-4-8-17(18)25-19)30(29-20)16-6-2-1-3-7-16/h1-13H
InChIKey
NLTYUVDFWYHPTO-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-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

424.08392 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.09120 199.0
[M+Na]+ 447.07314 213.2
[M-H]- 423.07664 208.0
[M+NH4]+ 442.11774 205.1
[M+K]+ 463.04708 204.1
[M+H-H2O]+ 407.08118 185.2
[M+HCOO]- 469.08212 211.8
[M+CH3COO]- 483.09777 208.6
[M+Na-2H]- 445.05859 202.2
[M]+ 424.08337 205.9
[M]- 424.08447 205.9
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.