CID 54698185

Gryufnqhswuydo-uhfffaoysa-n

Structural Information

Molecular Formula
C19H19FN2O3S
SMILES
CN(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=O)N(C2)CCC3=CC=CS3)O
InChI
InChI=1S/C19H19FN2O3S/c1-21(11-13-4-6-14(20)7-5-13)18(24)16-12-22(19(25)17(16)23)9-8-15-3-2-10-26-15/h2-7,10,23H,8-9,11-12H2,1H3
InChIKey
GRYUFNQHSWUYDO-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-thiophen-2-ylethyl)-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.11005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11733 187.6
[M+Na]+ 397.09927 194.9
[M-H]- 373.10277 195.9
[M+NH4]+ 392.14387 202.3
[M+K]+ 413.07321 190.5
[M+H-H2O]+ 357.10731 179.3
[M+HCOO]- 419.10825 204.6
[M+CH3COO]- 433.12390 217.1
[M+Na-2H]- 395.08472 182.1
[M]+ 374.10950 190.8
[M]- 374.11060 190.8
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