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]+ 295.08258 162.4
[M+Na]+ 317.06452 170.5
[M-H]- 293.06802 168.1
[M+NH4]+ 312.10912 174.7
[M+K]+ 333.03846 162.7
[M+H-H2O]+ 277.07256 156.7
[M+HCOO]- 339.07350 181.3
[M+CH3COO]- 353.08915 196.4
[M+Na-2H]- 315.04997 172.3
[M]+ 294.07475 161.6
[M]- 294.07585 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.