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

26
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

literature stripe

Patent stripe

patents stripe