CID 514266

Chembl383960

Structural Information

Molecular Formula
C18H17NO3
SMILES
C1CCC(C1)C2=C(NC3=C2C=CC(=C3)C(=O)O)C4=COC=C4
InChI
InChI=1S/C18H17NO3/c20-18(21)12-5-6-14-15(9-12)19-17(13-7-8-22-10-13)16(14)11-3-1-2-4-11/h5-11,19H,1-4H2,(H,20,21)
InChIKey
BLBBWYDVOZQBRR-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-(furan-3-yl)-1H-indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.12085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 166.5
[M+Na]+ 318.11007 174.2
[M-H]- 294.11357 175.3
[M+NH4]+ 313.15467 183.9
[M+K]+ 334.08401 170.3
[M+H-H2O]+ 278.11811 161.0
[M+HCOO]- 340.11905 186.3
[M+CH3COO]- 354.13470 178.4
[M+Na-2H]- 316.09552 165.1
[M]+ 295.12030 166.2
[M]- 295.12140 166.2
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.