CID 2858395

469890-59-3

Structural Information

Molecular Formula
C23H17N3O5
SMILES
C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]
InChI
InChI=1S/C23H17N3O5/c27-22-19-20(15-8-7-13-18(14-15)26(29)30)25(17-11-5-2-6-12-17)31-21(19)23(28)24(22)16-9-3-1-4-10-16/h1-14,19-21H
InChIKey
FKTXAJQBICUBOF-UHFFFAOYSA-N
Compound name
3-(3-nitrophenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

415.11682 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12410 197.2
[M+Na]+ 438.10604 202.7
[M-H]- 414.10954 209.6
[M+NH4]+ 433.15064 205.9
[M+K]+ 454.07998 194.3
[M+H-H2O]+ 398.11408 191.4
[M+HCOO]- 460.11502 215.7
[M+CH3COO]- 474.13067 218.7
[M+Na-2H]- 436.09149 197.9
[M]+ 415.11627 195.1
[M]- 415.11737 195.1
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

patents stripe