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]+ 288.15941 166.5
[M+Na]+ 310.14135 174.0
[M-H]- 286.14485 171.7
[M+NH4]+ 305.18595 183.2
[M+K]+ 326.11529 169.9
[M+H-H2O]+ 270.14939 159.2
[M+HCOO]- 332.15033 184.5
[M+CH3COO]- 346.16598 200.3
[M+Na-2H]- 308.12680 167.0
[M]+ 287.15158 166.6
[M]- 287.15268 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.