CID 54698188

Rzeslydtiqoree-uhfffaoysa-n

Structural Information

Molecular Formula
C20H20FN3O3
SMILES
CN(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=O)N(C2)CCC3=CC=NC=C3)O
InChI
InChI=1S/C20H20FN3O3/c1-23(12-15-2-4-16(21)5-3-15)19(26)17-13-24(20(27)18(17)25)11-8-14-6-9-22-10-7-14/h2-7,9-10,25H,8,11-13H2,1H3
InChIKey
RZESLYDTIQOREE-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-5-oxo-1-(2-pyridin-4-ylethyl)-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

369.14886 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15614 186.5
[M+Na]+ 392.13808 193.0
[M-H]- 368.14158 192.7
[M+NH4]+ 387.18268 197.1
[M+K]+ 408.11202 188.3
[M+H-H2O]+ 352.14612 175.3
[M+HCOO]- 414.14706 205.8
[M+CH3COO]- 428.16271 219.3
[M+Na-2H]- 390.12353 185.1
[M]+ 369.14831 186.8
[M]- 369.14941 186.8
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