CID 24847218

Brn 4491517

Structural Information

Molecular Formula
C14H10N4O
SMILES
C1C2=NN=C(N2C3=CC=CC=C3O1)C4=CN=CC=C4
InChI
InChI=1S/C14H10N4O/c1-2-6-12-11(5-1)18-13(9-19-12)16-17-14(18)10-4-3-7-15-8-10/h1-8H,9H2
InChIKey
OTOFGOYQBNEGSX-UHFFFAOYSA-N
Compound name
1-pyridin-3-yl-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

250.08546 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09274 154.7
[M+Na]+ 273.07468 165.1
[M-H]- 249.07818 158.6
[M+NH4]+ 268.11928 168.4
[M+K]+ 289.04862 160.5
[M+H-H2O]+ 233.08272 144.1
[M+HCOO]- 295.08366 171.7
[M+CH3COO]- 309.09931 166.3
[M+Na-2H]- 271.06013 163.1
[M]+ 250.08491 155.2
[M]- 250.08601 155.2
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.