CID 54698224

Rxfiiyksizsxds-uhfffaoysa-n

Structural Information

Molecular Formula
C17H21FN2O4
SMILES
CC(C)CON(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=O)N(C2)C)O
InChI
InChI=1S/C17H21FN2O4/c1-11(2)10-24-20(8-12-4-6-13(18)7-5-12)16(22)14-9-19(3)17(23)15(14)21/h4-7,11,21H,8-10H2,1-3H3
InChIKey
RXFIIYKSIZSXDS-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-(2-methylpropoxy)-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.14853 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15581 177.0
[M+Na]+ 359.13775 183.3
[M-H]- 335.14125 181.5
[M+NH4]+ 354.18235 190.9
[M+K]+ 375.11169 181.3
[M+H-H2O]+ 319.14579 168.2
[M+HCOO]- 381.14673 196.6
[M+CH3COO]- 395.16238 214.9
[M+Na-2H]- 357.12320 173.9
[M]+ 336.14798 179.2
[M]- 336.14908 179.2
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