CID 24847207

Brn 4533078

Structural Information

Molecular Formula
C15H9Cl2N3O
SMILES
C1C2=NN=C(N2C3=CC=CC=C3O1)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C15H9Cl2N3O/c16-9-5-6-10(11(17)7-9)15-19-18-14-8-21-13-4-2-1-3-12(13)20(14)15/h1-7H,8H2
InChIKey
XDUNPWBOCWYEOF-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.01227 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.01955 168.0
[M+Na]+ 340.00149 186.9
[M+NH4]+ 335.04609 177.8
[M+K]+ 355.97543 178.9
[M-H]- 316.00499 173.7
[M+Na-2H]- 337.98694 175.9
[M]+ 317.01172 173.2
[M]- 317.01282 173.2
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.