CID 514267

Chembl214864

Structural Information

Molecular Formula
C19H19NO3
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=COC=C3)C4CCCC4
InChI
InChI=1S/C19H19NO3/c1-20-16-10-13(19(21)22)6-7-15(16)17(12-4-2-3-5-12)18(20)14-8-9-23-11-14/h6-12H,2-5H2,1H3,(H,21,22)
InChIKey
MYLJUTRJQNTPBA-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-(furan-3-yl)-1-methylindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1365 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 171.3
[M+Na]+ 332.12572 179.8
[M-H]- 308.12922 181.6
[M+NH4]+ 327.17032 189.1
[M+K]+ 348.09966 176.6
[M+H-H2O]+ 292.13376 165.7
[M+HCOO]- 354.13470 192.2
[M+CH3COO]- 368.15035 183.7
[M+Na-2H]- 330.11117 169.0
[M]+ 309.13595 173.5
[M]- 309.13705 173.5
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.