CID 16741474

3-[1-[(4-fluorophenyl)methyl]indole-3-carbonyl]-4-hydroxy-2h-furan-5-one

Structural Information

Molecular Formula
C20H14FNO4
SMILES
C1/C(=C(\C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F)/O)/C(=O)C(=O)O1
InChI
InChI=1S/C20H14FNO4/c21-13-7-5-12(6-8-13)9-22-10-15(14-3-1-2-4-17(14)22)18(23)16-11-26-20(25)19(16)24/h1-8,10,23H,9,11H2/b18-16-
InChIKey
CMWANAJZYSWHLY-VLGSPTGOSA-N
Compound name
(4Z)-4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]-hydroxymethylidene]oxolane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.0907 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09798 179.0
[M+Na]+ 374.07992 188.7
[M-H]- 350.08342 187.8
[M+NH4]+ 369.12452 193.1
[M+K]+ 390.05386 183.7
[M+H-H2O]+ 334.08796 171.1
[M+HCOO]- 396.08890 198.1
[M+CH3COO]- 410.10455 190.4
[M+Na-2H]- 372.06537 177.6
[M]+ 351.09015 179.8
[M]- 351.09125 179.8
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.