CID 375086

Nsc654099

Structural Information

Molecular Formula
C15H10ClN4O2
SMILES
C1=CC=C2C(=C1)N=C(C3=[N+]2NOC3=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C15H9ClN4O2/c16-9-5-7-10(8-6-9)17-14-13-15(21)22-19-20(13)12-4-2-1-3-11(12)18-14/h1-8H,(H-,17,18,19,21)/p+1
InChIKey
ZRVPDRNAJOKDEM-UHFFFAOYSA-O
Compound name
4-(4-chloroanilino)-1H-oxadiazolo[3,4-a]quinoxalin-10-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.04922 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.05650 168.2
[M+Na]+ 336.03844 180.6
[M-H]- 312.04194 173.5
[M+NH4]+ 331.08304 180.9
[M+K]+ 352.01238 168.5
[M+H-H2O]+ 296.04648 161.7
[M+HCOO]- 358.04742 183.7
[M+CH3COO]- 372.06307 179.7
[M+Na-2H]- 334.02389 179.2
[M]+ 313.04867 171.6
[M]- 313.04977 171.6
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.