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]+ 288.15941 167.6
[M+Na]+ 310.14135 176.0
[M-H]- 286.14485 173.4
[M+NH4]+ 305.18595 186.4
[M+K]+ 326.11529 172.1
[M+H-H2O]+ 270.14939 161.2
[M+HCOO]- 332.15033 187.9
[M+CH3COO]- 346.16598 199.4
[M+Na-2H]- 308.12680 166.5
[M]+ 287.15158 169.9
[M]- 287.15268 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.