CID 54698189

Ccfwvqibkgyeil-uhfffaoysa-n

Structural Information

Molecular Formula
C21H21FN2O3
SMILES
CN(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=O)N(C2)CCC3=CC=CC=C3)O
InChI
InChI=1S/C21H21FN2O3/c1-23(13-16-7-9-17(22)10-8-16)20(26)18-14-24(21(27)19(18)25)12-11-15-5-3-2-4-6-15/h2-10,25H,11-14H2,1H3
InChIKey
CCFWVQIBKGYEIL-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-phenylethyl)-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

368.15363 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.160906 187.0
[M+Na]+ 391.142848 193.2
[M-H]- 367.146354 194.4
[M+NH4]+ 386.187453 199.1
[M+K]+ 407.116788 188.5
[M+H-H2O]+ 351.150890 176.6
[M+HCOO]- 413.151831 207.3
[M+CH3COO]- 427.167481 219.6
[M+Na-2H]- 389.128296 185.0
[M]+ 368.15308142 187.2
[M]- 368.15417858 187.2
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