CID 24847213

Brn 4540660

Structural Information

Molecular Formula
C15H10N4O3
SMILES
C1C2=NN=C(N2C3=CC=CC=C3O1)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C15H10N4O3/c20-19(21)11-7-5-10(6-8-11)15-17-16-14-9-22-13-4-2-1-3-12(13)18(14)15/h1-8H,9H2
InChIKey
YSHYFIOPDIEDBO-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-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

294.0753 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.082576 162.4
[M+Na]+ 317.064518 170.5
[M-H]- 293.068024 168.1
[M+NH4]+ 312.109123 174.7
[M+K]+ 333.038458 162.7
[M+H-H2O]+ 277.072560 156.7
[M+HCOO]- 339.073501 181.3
[M+CH3COO]- 353.089151 196.4
[M+Na-2H]- 315.049966 172.3
[M]+ 294.07475142 161.6
[M]- 294.07584858 161.6
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.