CID 627255

101782-20-1

Structural Information

Molecular Formula
C18H23NO3
SMILES
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3CCCCC3)C
InChI
InChI=1S/C18H23NO3/c1-3-22-18(21)17-12(2)19(13-7-5-4-6-8-13)16-10-9-14(20)11-15(16)17/h9-11,13,20H,3-8H2,1-2H3
InChIKey
CXEMQLWMAUFGHN-UHFFFAOYSA-N
Compound name
ethyl 1-cyclohexyl-5-hydroxy-2-methylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

301.1678 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 171.4
[M+Na]+ 324.15702 178.5
[M-H]- 300.16052 176.4
[M+NH4]+ 319.20162 187.6
[M+K]+ 340.13096 174.2
[M+H-H2O]+ 284.16506 163.9
[M+HCOO]- 346.16600 189.1
[M+CH3COO]- 360.18165 202.6
[M+Na-2H]- 322.14247 171.4
[M]+ 301.16725 171.7
[M]- 301.16835 171.7
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.