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

3
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

literature stripe

Patent stripe

patents stripe