CID 54698236

Schembl6077856

Structural Information

Molecular Formula
C19H23FN2O6
SMILES
CC(C)(C)OC(=O)CON(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=O)N(C2)C)O
InChI
InChI=1S/C19H23FN2O6/c1-19(2,3)28-15(23)11-27-22(9-12-5-7-13(20)8-6-12)17(25)14-10-21(4)18(26)16(14)24/h5-8,24H,9-11H2,1-4H3
InChIKey
XWPRXZOQEOPWJR-UHFFFAOYSA-N
Compound name
tert-butyl 2-[(4-fluorophenyl)methyl-(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

394.15402 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16130 189.0
[M+Na]+ 417.14324 194.7
[M-H]- 393.14674 193.5
[M+NH4]+ 412.18784 200.4
[M+K]+ 433.11718 193.9
[M+H-H2O]+ 377.15128 180.6
[M+HCOO]- 439.15222 206.9
[M+CH3COO]- 453.16787 223.5
[M+Na-2H]- 415.12869 186.7
[M]+ 394.15347 193.4
[M]- 394.15457 193.4
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

patents stripe