CID 66835544

Isopropyl 3-cyclopentyl-1-methyl-1h-indole-6-carboxylate

Structural Information

Molecular Formula

C₁₈H₂₃NO₂

SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)C(=CN2C)C3CCCC3

InChI

InChI=1S/C18H23NO2/c1-12(2)21-18(20)14-8-9-15-16(13-6-4-5-7-13)11-19(3)17(15)10-14/h8-13H,4-7H2,1-3H3

InChIKey

UQQPAWZVYVDUQH-UHFFFAOYSA-N

Compound name

propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 285.17288 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	286.180156	169.7
[M+Na]+	308.162098	177.0
[M-H]-	284.165604	176.4
[M+NH4]+	303.206703	188.9
[M+K]+	324.136038	173.6
[M+H-H2O]+	268.170140	162.8
[M+HCOO]-	330.171081	189.9
[M+CH3COO]-	344.186731	202.4
[M+Na-2H]-	306.147546	167.7
[M]+	285.17233142	171.7
[M]-	285.17342858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe