CID 11256162

(e)-3-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-hydroxy-prop-2-enoic acid

Structural Information

Molecular Formula
C19H13FN2O3
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)/C(=C(/C(=O)O)\O)/C#N
InChI
InChI=1S/C19H13FN2O3/c20-13-7-5-12(6-8-13)10-22-11-16(14-3-1-2-4-17(14)22)15(9-21)18(23)19(24)25/h1-8,11,23H,10H2,(H,24,25)/b18-15-
InChIKey
ZJBLJFRMJONAAF-SDXDJHTJSA-N
Compound name
(E)-3-cyano-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.09103 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09831 183.9
[M+Na]+ 359.08025 193.9
[M-H]- 335.08375 185.1
[M+NH4]+ 354.12485 195.4
[M+K]+ 375.05419 185.7
[M+H-H2O]+ 319.08829 168.6
[M+HCOO]- 381.08923 197.5
[M+CH3COO]- 395.10488 215.5
[M+Na-2H]- 357.06570 182.6
[M]+ 336.09048 177.8
[M]- 336.09158 177.8
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.