CID 53394099

Rcs-8

Structural Information

Molecular Formula
C25H29NO2
SMILES
COC1=CC=CC=C1CC(=O)C2=CN(C3=CC=CC=C32)CCC4CCCCC4
InChI
InChI=1S/C25H29NO2/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3
InChIKey
BSQFBMXCQIKYNI-UHFFFAOYSA-N
Compound name
1-[1-(2-cyclohexylethyl)indol-3-yl]-2-(2-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

47
Patents

375.21982 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22710 194.1
[M+Na]+ 398.20904 198.7
[M-H]- 374.21254 202.2
[M+NH4]+ 393.25364 206.7
[M+K]+ 414.18298 192.4
[M+H-H2O]+ 358.21708 183.6
[M+HCOO]- 420.21802 211.7
[M+CH3COO]- 434.23367 202.9
[M+Na-2H]- 396.19449 193.1
[M]+ 375.21927 193.8
[M]- 375.22037 193.8
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.