CID 915863

1-cyclohexyl-5-methoxy-2-methyl-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C17H21NO3
SMILES
CC1=C(C2=C(N1C3CCCCC3)C=CC(=C2)OC)C(=O)O
InChI
InChI=1S/C17H21NO3/c1-11-16(17(19)20)14-10-13(21-2)8-9-15(14)18(11)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,20)
InChIKey
BPMZOSFCQREIRL-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

287.15213 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 166.5
[M+Na]+ 310.141348 174.0
[M-H]- 286.144854 171.7
[M+NH4]+ 305.185953 183.2
[M+K]+ 326.115288 169.9
[M+H-H2O]+ 270.149390 159.2
[M+HCOO]- 332.150331 184.5
[M+CH3COO]- 346.165981 200.3
[M+Na-2H]- 308.126796 167.0
[M]+ 287.15158142 166.6
[M]- 287.15267858 166.6
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.