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]+ 369.16091 187.0
[M+Na]+ 391.14285 193.2
[M-H]- 367.14635 194.4
[M+NH4]+ 386.18745 199.1
[M+K]+ 407.11679 188.5
[M+H-H2O]+ 351.15089 176.6
[M+HCOO]- 413.15183 207.3
[M+CH3COO]- 427.16748 219.6
[M+Na-2H]- 389.12830 185.0
[M]+ 368.15308 187.2
[M]- 368.15418 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