CID 5776672

618073-19-1

Structural Information

Molecular Formula
C24H26FN3O6
SMILES
CCN(CC)CCN1C(/C(=C(/C2=CC(=C(C=C2)OC)F)\O)/C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C24H26FN3O6/c1-4-26(5-2)12-13-27-21(15-6-9-17(10-7-15)28(32)33)20(23(30)24(27)31)22(29)16-8-11-19(34-3)18(25)14-16/h6-11,14,21,29H,4-5,12-13H2,1-3H3/b22-20+
InChIKey
SCZULKHBTAONDX-LSDHQDQOSA-N
Compound name
(4E)-1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.18057 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18785 211.5
[M+Na]+ 494.16979 215.2
[M-H]- 470.17329 218.7
[M+NH4]+ 489.21439 218.3
[M+K]+ 510.14373 207.2
[M+H-H2O]+ 454.17783 205.3
[M+HCOO]- 516.17877 230.2
[M+CH3COO]- 530.19442 235.0
[M+Na-2H]- 492.15524 208.1
[M]+ 471.18002 211.3
[M]- 471.18112 211.3
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.