CID 54698213

1h-pyrrole-3-carboxamide, 1-[2-(4-morpholinyl)ethyl]-n-[(4-fluorophenyl)methyl]-2,5-dihydro-4-hydroxy-n-methoxy-5-oxo-

Structural Information

Molecular Formula
C19H24FN3O5
SMILES
CON(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=O)N(C2)CCN3CCOCC3)O
InChI
InChI=1S/C19H24FN3O5/c1-27-23(12-14-2-4-15(20)5-3-14)18(25)16-13-22(19(26)17(16)24)7-6-21-8-10-28-11-9-21/h2-5,24H,6-13H2,1H3
InChIKey
BSOPWSCOTLQYLX-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

393.17 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17728 191.5
[M+Na]+ 416.15922 195.2
[M-H]- 392.16272 197.2
[M+NH4]+ 411.20382 199.4
[M+K]+ 432.13316 193.6
[M+H-H2O]+ 376.16726 180.5
[M+HCOO]- 438.16820 206.2
[M+CH3COO]- 452.18385 222.3
[M+Na-2H]- 414.14467 188.6
[M]+ 393.16945 190.7
[M]- 393.17055 190.7
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

patents stripe