CID 6478993

(3z)-3-(4-fluorobenzylidene)-1-hydroxy-5-isobutylpiperazine-2,6-dione

Structural Information

Molecular Formula
C15H17FN2O3
SMILES
CC(C)CC1C(=O)N(C(=O)/C(=C/C2=CC=C(C=C2)F)/N1)O
InChI
InChI=1S/C15H17FN2O3/c1-9(2)7-12-14(19)18(21)15(20)13(17-12)8-10-3-5-11(16)6-4-10/h3-6,8-9,12,17,21H,7H2,1-2H3/b13-8-
InChIKey
WFHGXWIFPLYLJY-JYRVWZFOSA-N
Compound name
(3Z)-3-[(4-fluorophenyl)methylidene]-1-hydroxy-5-(2-methylpropyl)piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.1223 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12958 167.7
[M+Na]+ 315.11152 175.1
[M-H]- 291.11502 167.7
[M+NH4]+ 310.15612 179.3
[M+K]+ 331.08546 169.5
[M+H-H2O]+ 275.11956 158.8
[M+HCOO]- 337.12050 180.8
[M+CH3COO]- 351.13615 199.3
[M+Na-2H]- 313.09697 166.0
[M]+ 292.12175 162.6
[M]- 292.12285 162.6
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.