CID 6292277

618074-09-2

Structural Information

Molecular Formula
C24H26FN3O5
SMILES
CCN(CC)CCN1C(/C(=C(/C2=CC(=C(C=C2)C)F)\O)/C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C24H26FN3O5/c1-4-26(5-2)12-13-27-21(16-8-10-18(11-9-16)28(32)33)20(23(30)24(27)31)22(29)17-7-6-15(3)19(25)14-17/h6-11,14,21,29H,4-5,12-13H2,1-3H3/b22-20+
InChIKey
CYGVGLWWGODRBG-LSDHQDQOSA-N
Compound name
(4E)-1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.18564 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.19292 209.0
[M+Na]+ 478.17486 213.2
[M-H]- 454.17836 216.2
[M+NH4]+ 473.21946 216.7
[M+K]+ 494.14880 204.4
[M+H-H2O]+ 438.18290 203.1
[M+HCOO]- 500.18384 227.6
[M+CH3COO]- 514.19949 232.8
[M+Na-2H]- 476.16031 205.2
[M]+ 455.18509 207.6
[M]- 455.18619 207.6
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.