CID 15955886

(2z)-2-[9-[(4-fluorophenyl)methyl]-1-oxo-3,4-dihydrocarbazol-2-ylidene]-2-hydroxy-acetic acid

Structural Information

Molecular Formula
C21H16FNO4
SMILES
C1CC(=C(C2=C1C3=CC=CC=C3N2CC4=CC=C(C=C4)F)O)C(=O)C(=O)O
InChI
InChI=1S/C21H16FNO4/c22-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-10-16(19(24)18(15)23)20(25)21(26)27/h1-8,24H,9-11H2,(H,26,27)
InChIKey
FGYXPGYDIIFJKZ-UHFFFAOYSA-N
Compound name
2-[9-[(4-fluorophenyl)methyl]-1-hydroxy-3,4-dihydrocarbazol-2-yl]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.10632 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11360 183.3
[M+Na]+ 388.09554 192.2
[M-H]- 364.09904 187.5
[M+NH4]+ 383.14014 196.7
[M+K]+ 404.06948 186.0
[M+H-H2O]+ 348.10358 174.6
[M+HCOO]- 410.10452 199.0
[M+CH3COO]- 424.12017 193.1
[M+Na-2H]- 386.08099 183.7
[M]+ 365.10577 183.9
[M]- 365.10687 183.9
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.