CID 5728149

337922-94-8

Structural Information

Molecular Formula
C23H17N3O5
SMILES
C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])/O
InChI
InChI=1S/C23H17N3O5/c27-21(16-7-2-1-3-8-16)19-20(17-9-4-10-18(12-17)26(30)31)25(23(29)22(19)28)14-15-6-5-11-24-13-15/h1-13,20,27H,14H2/b21-19+
InChIKey
MHHHGIKVIFNUMC-XUTLUUPISA-N
Compound name
(4E)-4-[hydroxy(phenyl)methylidene]-5-(3-nitrophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.11682 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12410 197.5
[M+Na]+ 438.10604 201.7
[M-H]- 414.10954 206.6
[M+NH4]+ 433.15064 203.8
[M+K]+ 454.07998 191.5
[M+H-H2O]+ 398.11408 190.5
[M+HCOO]- 460.11502 215.7
[M+CH3COO]- 474.13067 215.7
[M+Na-2H]- 436.09149 198.1
[M]+ 415.11627 193.0
[M]- 415.11737 193.0
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.