CID 54689675

341967-77-9

Structural Information

Molecular Formula
C20H17FN2O3
SMILES
C1CC2=C3C(=CC=C2)C(=C(C(=O)N3C1)C(=O)NCC4=CC=C(C=C4)F)O
InChI
InChI=1S/C20H17FN2O3/c21-14-8-6-12(7-9-14)11-22-19(25)16-18(24)15-5-1-3-13-4-2-10-23(17(13)15)20(16)26/h1,3,5-9,24H,2,4,10-11H2,(H,22,25)
InChIKey
FAJYOWADSFVCJF-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

352.1223 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12958 180.8
[M+Na]+ 375.11152 188.5
[M-H]- 351.11502 184.6
[M+NH4]+ 370.15612 193.5
[M+K]+ 391.08546 182.4
[M+H-H2O]+ 335.11956 170.4
[M+HCOO]- 397.12050 196.5
[M+CH3COO]- 411.13615 190.0
[M+Na-2H]- 373.09697 185.1
[M]+ 352.12175 179.5
[M]- 352.12285 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.