CID 5310631

Smr000107724

Structural Information

Molecular Formula
C22H23FN2O3
SMILES
CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CC=CC=C3F)/O
InChI
InChI=1S/C22H23FN2O3/c1-14-8-10-15(11-9-14)20(26)18-19(16-6-4-5-7-17(16)23)25(13-12-24(2)3)22(28)21(18)27/h4-11,19,26H,12-13H2,1-3H3/b20-18+
InChIKey
KVYBUEDMKJTVLQ-CZIZESTLSA-N
Compound name
(4E)-1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

382.16928 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17656 191.2
[M+Na]+ 405.15850 198.0
[M-H]- 381.16200 198.8
[M+NH4]+ 400.20310 203.1
[M+K]+ 421.13244 192.9
[M+H-H2O]+ 365.16654 181.4
[M+HCOO]- 427.16748 209.9
[M+CH3COO]- 441.18313 224.8
[M+Na-2H]- 403.14395 186.4
[M]+ 382.16873 190.4
[M]- 382.16983 190.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.