CID 215390

Brn 0865727

Structural Information

Molecular Formula
C23H14N4O5
SMILES
C1=CC=C(C=C1)C2=C(OC3=NC(=O)N(C(=O)N23)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5
InChI
InChI=1S/C23H14N4O5/c28-21-24-22-26(23(29)25(21)17-11-13-18(14-12-17)27(30)31)19(15-7-3-1-4-8-15)20(32-22)16-9-5-2-6-10-16/h1-14H
InChIKey
VCELPVPFLVKNNW-UHFFFAOYSA-N
Compound name
3-(4-nitrophenyl)-6,7-diphenyl-[1,3]oxazolo[3,2-a][1,3,5]triazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.0964 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.10368 199.9
[M+Na]+ 449.08562 209.2
[M-H]- 425.08912 212.0
[M+NH4]+ 444.13022 204.9
[M+K]+ 465.05956 199.5
[M+H-H2O]+ 409.09366 191.2
[M+HCOO]- 471.09460 221.1
[M+CH3COO]- 485.11025 220.7
[M+Na-2H]- 447.07107 206.7
[M]+ 426.09585 202.3
[M]- 426.09695 202.3
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.