CID 3071660

Brn 4823413

Structural Information

Molecular Formula
C17H10N4O4
SMILES
C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)OC(=N3)C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C17H10N4O4/c22-17-13-10-18-20(11-6-2-1-3-7-11)15(13)19-16(25-17)12-8-4-5-9-14(12)21(23)24/h1-10H
InChIKey
CFTCCMGUTXQVJO-UHFFFAOYSA-N
Compound name
6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0702 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.077476 173.4
[M+Na]+ 357.059418 183.2
[M-H]- 333.062924 182.4
[M+NH4]+ 352.104023 182.9
[M+K]+ 373.033358 174.7
[M+H-H2O]+ 317.067460 166.8
[M+HCOO]- 379.068401 195.9
[M+CH3COO]- 393.084051 202.6
[M+Na-2H]- 355.044866 182.8
[M]+ 334.06965142 175.6
[M]- 334.07074858 175.6
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.