CID 54698237

Schembl6079461

Structural Information

Molecular Formula
C17H20FN3O5
SMILES
CN1CC(=C(C1=O)O)C(=O)N(CC2=CC=C(C=C2)F)OCC(=O)N(C)C
InChI
InChI=1S/C17H20FN3O5/c1-19(2)14(22)10-26-21(8-11-4-6-12(18)7-5-11)16(24)13-9-20(3)17(25)15(13)23/h4-7,23H,8-10H2,1-3H3
InChIKey
NTSZBNWNBQMUGG-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)-2-oxoethoxy]-N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

365.1387 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14598 181.9
[M+Na]+ 388.12792 187.4
[M-H]- 364.13142 187.8
[M+NH4]+ 383.17252 194.6
[M+K]+ 404.10186 187.2
[M+H-H2O]+ 348.13596 172.5
[M+HCOO]- 410.13690 203.4
[M+CH3COO]- 424.15255 224.2
[M+Na-2H]- 386.11337 178.9
[M]+ 365.13815 185.2
[M]- 365.13925 185.2
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