CID 5278545

Chembl2040639

Structural Information

Molecular Formula
C18H17FN2O3
SMILES
C1=CC=C(C=C1)CC2C(=O)N(C(=O)C(N2)CC3=CC=C(C=C3)F)O
InChI
InChI=1S/C18H17FN2O3/c19-14-8-6-13(7-9-14)11-16-18(23)21(24)17(22)15(20-16)10-12-4-2-1-3-5-12/h1-9,15-16,20,24H,10-11H2
InChIKey
WDIUAMCPLUJNOL-UHFFFAOYSA-N
Compound name
3-benzyl-5-[(4-fluorophenyl)methyl]-1-hydroxypiperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.1223 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12958 177.4
[M+Na]+ 351.11152 184.6
[M-H]- 327.11502 180.3
[M+NH4]+ 346.15612 186.9
[M+K]+ 367.08546 177.6
[M+H-H2O]+ 311.11956 166.5
[M+HCOO]- 373.12050 191.5
[M+CH3COO]- 387.13615 204.9
[M+Na-2H]- 349.09697 177.6
[M]+ 328.12175 172.0
[M]- 328.12285 172.0
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.