CID 24847210

Brn 4479234

Structural Information

Molecular Formula
C13H9N3O2
SMILES
C1C2=NN=C(N2C3=CC=CC=C3O1)C4=CC=CO4
InChI
InChI=1S/C13H9N3O2/c1-2-5-10-9(4-1)16-12(8-18-10)14-15-13(16)11-6-3-7-17-11/h1-7H,8H2
InChIKey
QTGZLZRAZSYMHT-UHFFFAOYSA-N
Compound name
1-(furan-2-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

239.06947 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.076746 147.5
[M+Na]+ 262.058688 159.3
[M-H]- 238.062194 154.5
[M+NH4]+ 257.103293 164.0
[M+K]+ 278.032628 157.3
[M+H-H2O]+ 222.066730 139.6
[M+HCOO]- 284.067671 167.9
[M+CH3COO]- 298.083321 161.3
[M+Na-2H]- 260.044136 154.9
[M]+ 239.06892142 151.8
[M]- 239.07001858 151.8
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.