CID 600910

353793-16-5

Structural Information

Molecular Formula
C20H20FN3O3
SMILES
C1COCCN1C2=CC=C(C=C2)NC3CC(=O)N(C3=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H20FN3O3/c21-14-1-5-17(6-2-14)24-19(25)13-18(20(24)26)22-15-3-7-16(8-4-15)23-9-11-27-12-10-23/h1-8,18,22H,9-13H2
InChIKey
YHQRMTZJCXIMPY-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.14886 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15614 187.1
[M+Na]+ 392.13808 192.6
[M-H]- 368.14158 196.0
[M+NH4]+ 387.18268 195.8
[M+K]+ 408.11202 187.8
[M+H-H2O]+ 352.14612 175.1
[M+HCOO]- 414.14706 202.8
[M+CH3COO]- 428.16271 195.8
[M+Na-2H]- 390.12353 185.6
[M]+ 369.14831 181.4
[M]- 369.14941 181.4
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.