CID 2913480

371924-49-1

Structural Information

Molecular Formula
C22H17FN2O4
SMILES
CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)F)CC4=CN=CC=C4)O
InChI
InChI=1S/C22H17FN2O4/c1-13-4-9-17(29-13)20(26)18-19(15-5-7-16(23)8-6-15)25(22(28)21(18)27)12-14-3-2-10-24-11-14/h2-11,19,27H,12H2,1H3
InChIKey
XSRKCTJRXUFBJY-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

392.11725 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12453 190.3
[M+Na]+ 415.10647 199.4
[M-H]- 391.10997 200.3
[M+NH4]+ 410.15107 200.2
[M+K]+ 431.08041 194.7
[M+H-H2O]+ 375.11451 180.5
[M+HCOO]- 437.11545 208.7
[M+CH3COO]- 451.13110 200.7
[M+Na-2H]- 413.09192 186.4
[M]+ 392.11670 192.1
[M]- 392.11780 192.1
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

patents stripe