CID 11624814

Ethyl (z)-4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-hydroxy-4-oxo-but-2-enoate

Structural Information

Molecular Formula
C21H18FNO4
SMILES
CCOC(=O)C(=O)/C=C(/C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F)\O
InChI
InChI=1S/C21H18FNO4/c1-2-27-21(26)20(25)11-19(24)17-13-23(18-6-4-3-5-16(17)18)12-14-7-9-15(22)10-8-14/h3-11,13,24H,2,12H2,1H3/b19-11-
InChIKey
NSZNDTPGDINQHY-ODLFYWEKSA-N
Compound name
ethyl (Z)-4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-hydroxy-2-oxobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

367.12198 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12926 185.9
[M+Na]+ 390.11120 193.5
[M-H]- 366.11470 190.0
[M+NH4]+ 385.15580 198.7
[M+K]+ 406.08514 188.2
[M+H-H2O]+ 350.11924 176.7
[M+HCOO]- 412.12018 204.2
[M+CH3COO]- 426.13583 213.6
[M+Na-2H]- 388.09665 185.0
[M]+ 367.12143 188.7
[M]- 367.12253 188.7
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.