CID 365579

Nsc633374

Structural Information

Molecular Formula
C23H13BrN6O
SMILES
C1=CC=C(C=C1)N2C3=NC4=CC=CC=C4N=C3C(=N2)C5=NN=C(O5)C6=CC=C(C=C6)Br
InChI
InChI=1S/C23H13BrN6O/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
LJCRVNKEMWFWLK-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-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

468.03342 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.04070 200.7
[M+Na]+ 491.02264 215.9
[M-H]- 467.02614 212.5
[M+NH4]+ 486.06724 208.8
[M+K]+ 506.99658 203.2
[M+H-H2O]+ 451.03068 196.6
[M+HCOO]- 513.03162 216.8
[M+CH3COO]- 527.04727 212.1
[M+Na-2H]- 489.00809 205.6
[M]+ 468.03287 223.3
[M]- 468.03397 223.3
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.