CID 24847214

Brn 4479265

Structural Information

Molecular Formula
C15H11N3O
SMILES
C1C2=NN=C(N2C3=CC=CC=C3O1)C4=CC=CC=C4
InChI
InChI=1S/C15H11N3O/c1-2-6-11(7-3-1)15-17-16-14-10-19-13-9-5-4-8-12(13)18(14)15/h1-9H,10H2
InChIKey
HETBLZBUXJOIBP-UHFFFAOYSA-N
Compound name
1-phenyl-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

249.09021 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.097486 154.2
[M+Na]+ 272.079428 164.1
[M-H]- 248.082934 159.4
[M+NH4]+ 267.124033 169.4
[M+K]+ 288.053368 159.6
[M+H-H2O]+ 232.087470 144.3
[M+HCOO]- 294.088411 172.3
[M+CH3COO]- 308.104061 166.2
[M+Na-2H]- 270.064876 162.3
[M]+ 249.08966142 154.6
[M]- 249.09075858 154.6
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.