CID 1508762

Ethyl 1-cyclopentyl-5-hydroxy-2-methyl-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C17H21NO3
SMILES
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3CCCC3)C
InChI
InChI=1S/C17H21NO3/c1-3-21-17(20)16-11(2)18(12-6-4-5-7-12)15-9-8-13(19)10-14(15)16/h8-10,12,19H,3-7H2,1-2H3
InChIKey
GVXMCVJJILJXGI-UHFFFAOYSA-N
Compound name
ethyl 1-cyclopentyl-5-hydroxy-2-methylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 167.6
[M+Na]+ 310.141348 176.0
[M-H]- 286.144854 173.4
[M+NH4]+ 305.185953 186.4
[M+K]+ 326.115288 172.1
[M+H-H2O]+ 270.149390 161.2
[M+HCOO]- 332.150331 187.9
[M+CH3COO]- 346.165981 199.4
[M+Na-2H]- 308.126796 166.5
[M]+ 287.15158142 169.9
[M]- 287.15267858 169.9
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

No patent data available for this compound.