CID 53571666

1311749-74-2

Structural Information

Molecular Formula
C18H19FN2O4
SMILES
CC1=C(C(=NO1)C)CN2C(C(CCC2=O)C(=O)O)C3=CC(=CC=C3)F
InChI
InChI=1S/C18H19FN2O4/c1-10-15(11(2)25-20-10)9-21-16(22)7-6-14(18(23)24)17(21)12-4-3-5-13(19)8-12/h3-5,8,14,17H,6-7,9H2,1-2H3,(H,23,24)
InChIKey
LCCGIUKFCHWHGD-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3-fluorophenyl)-6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.13287 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14015 180.4
[M+Na]+ 369.12209 188.5
[M-H]- 345.12559 186.1
[M+NH4]+ 364.16669 190.8
[M+K]+ 385.09603 184.8
[M+H-H2O]+ 329.13013 170.7
[M+HCOO]- 391.13107 195.2
[M+CH3COO]- 405.14672 211.5
[M+Na-2H]- 367.10754 177.3
[M]+ 346.13232 179.7
[M]- 346.13342 179.7
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.