CID 135921787

Brn 4507248

Structural Information

Molecular Formula
C15H11N3O2
SMILES
C1C2=NN=C(N2C3=CC=CC=C3O1)C4=CC=CC=C4O
InChI
InChI=1S/C15H11N3O2/c19-12-7-3-1-5-10(12)15-17-16-14-9-20-13-8-4-2-6-11(13)18(14)15/h1-8,19H,9H2
InChIKey
SDOLGFLAAYMYBV-UHFFFAOYSA-N
Compound name
2-(4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0851 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.092376 158.1
[M+Na]+ 288.074318 168.3
[M-H]- 264.077824 162.5
[M+NH4]+ 283.118923 172.2
[M+K]+ 304.048258 163.7
[M+H-H2O]+ 248.082360 148.7
[M+HCOO]- 310.083301 174.9
[M+CH3COO]- 324.098951 169.7
[M+Na-2H]- 286.059766 165.3
[M]+ 265.08455142 158.6
[M]- 265.08564858 158.6
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.