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]+ 266.09238 158.1
[M+Na]+ 288.07432 168.3
[M-H]- 264.07782 162.5
[M+NH4]+ 283.11892 172.2
[M+K]+ 304.04826 163.7
[M+H-H2O]+ 248.08236 148.7
[M+HCOO]- 310.08330 174.9
[M+CH3COO]- 324.09895 169.7
[M+Na-2H]- 286.05977 165.3
[M]+ 265.08455 158.6
[M]- 265.08565 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.