CID 54698191

Gegggtimcumyji-uhfffaoysa-n

Structural Information

Molecular Formula
C22H23FN2O3
SMILES
CN(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=O)N(C2)CCCC3=CC=CC=C3)O
InChI
InChI=1S/C22H23FN2O3/c1-24(14-17-9-11-18(23)12-10-17)21(27)19-15-25(22(28)20(19)26)13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,26H,5,8,13-15H2,1H3
InChIKey
GEGGGTIMCUMYJI-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

382.16928 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17656 191.6
[M+Na]+ 405.15850 197.2
[M-H]- 381.16200 198.7
[M+NH4]+ 400.20310 203.0
[M+K]+ 421.13244 192.4
[M+H-H2O]+ 365.16654 181.0
[M+HCOO]- 427.16748 211.5
[M+CH3COO]- 441.18313 222.5
[M+Na-2H]- 403.14395 189.0
[M]+ 382.16873 192.0
[M]- 382.16983 192.0
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