CID 370491

Nsc643713

Structural Information

Molecular Formula
C18H14N4O3
SMILES
CC(=O)N1C2=NC3=CC=CC=C3N=C2OC(=N1)C4=CC=C(C=C4)OC
InChI
InChI=1S/C18H14N4O3/c1-11(23)22-16-18(20-15-6-4-3-5-14(15)19-16)25-17(21-22)12-7-9-13(24-2)10-8-12/h3-10H,1-2H3
InChIKey
JELHWFYIBBXPIV-UHFFFAOYSA-N
Compound name
1-[3-(4-methoxyphenyl)-[1,3,4]oxadiazino[5,6-b]quinoxalin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1066 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11388 180.7
[M+Na]+ 357.09582 190.6
[M-H]- 333.09932 184.6
[M+NH4]+ 352.14042 189.1
[M+K]+ 373.06976 186.1
[M+H-H2O]+ 317.10386 168.5
[M+HCOO]- 379.10480 194.6
[M+CH3COO]- 393.12045 190.3
[M+Na-2H]- 355.08127 187.7
[M]+ 334.10605 183.7
[M]- 334.10715 183.7
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.