CID 11695776

Chembl259012

Structural Information

Molecular Formula
C19H14FNO4
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)/C(=C/C(=O)C(=O)O)/O
InChI
InChI=1S/C19H14FNO4/c20-13-7-5-12(6-8-13)10-21-11-15(14-3-1-2-4-16(14)21)17(22)9-18(23)19(24)25/h1-9,11,22H,10H2,(H,24,25)/b17-9-
InChIKey
XEPABNKDQLQPER-MFOYZWKCSA-N
Compound name
(Z)-4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

339.0907 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09798 176.3
[M+Na]+ 362.07992 184.3
[M-H]- 338.08342 179.4
[M+NH4]+ 357.12452 189.5
[M+K]+ 378.05386 178.7
[M+H-H2O]+ 322.08796 167.9
[M+HCOO]- 384.08890 193.9
[M+CH3COO]- 398.10455 206.2
[M+Na-2H]- 360.06537 176.2
[M]+ 339.09015 176.8
[M]- 339.09125 176.8
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.