CID 514291

Schembl4431788

Structural Information

Molecular Formula
C20H19FN2O2
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=NC=C(C=C3)F)C4CCCC4
InChI
InChI=1S/C20H19FN2O2/c1-23-17-10-13(20(24)25)6-8-15(17)18(12-4-2-3-5-12)19(23)16-9-7-14(21)11-22-16/h6-12H,2-5H2,1H3,(H,24,25)
InChIKey
WNBFWZHYLJNCLL-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

338.14307 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15035 178.8
[M+Na]+ 361.13229 188.0
[M-H]- 337.13579 185.6
[M+NH4]+ 356.17689 193.7
[M+K]+ 377.10623 181.7
[M+H-H2O]+ 321.14033 169.6
[M+HCOO]- 383.14127 196.8
[M+CH3COO]- 397.15692 189.6
[M+Na-2H]- 359.11774 176.5
[M]+ 338.14252 178.2
[M]- 338.14362 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe