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[3,4-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]+ 335.07748 173.4
[M+Na]+ 357.05942 183.2
[M-H]- 333.06292 182.4
[M+NH4]+ 352.10402 182.9
[M+K]+ 373.03336 174.7
[M+H-H2O]+ 317.06746 166.8
[M+HCOO]- 379.06840 195.9
[M+CH3COO]- 393.08405 202.6
[M+Na-2H]- 355.04487 182.8
[M]+ 334.06965 175.6
[M]- 334.07075 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.