CID 477305

Chembl318095

Structural Information

Molecular Formula
C18H23FN4O4
SMILES
CC(=O)NC[C@H]1CC(=NO1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CO)F
InChI
InChI=1S/C18H23FN4O4/c1-12(25)20-10-14-9-16(21-27-14)13-2-3-17(15(19)8-13)22-4-6-23(7-5-22)18(26)11-24/h2-3,8,14,24H,4-7,9-11H2,1H3,(H,20,25)/t14-/m1/s1
InChIKey
RFKHLOXCTWUEKQ-CQSZACIVSA-N
Compound name
N-[[(5R)-3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.17032 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17760 189.7
[M+Na]+ 401.15954 193.7
[M-H]- 377.16304 193.0
[M+NH4]+ 396.20414 196.4
[M+K]+ 417.13348 190.6
[M+H-H2O]+ 361.16758 178.4
[M+HCOO]- 423.16852 201.8
[M+CH3COO]- 437.18417 217.0
[M+Na-2H]- 399.14499 186.6
[M]+ 378.16977 185.8
[M]- 378.17087 185.8
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.