CID 508416

5-cyclohexyl-1-(2-cyclohexylethyl)indolin-2-one

Structural Information

Molecular Formula
C22H31NO
SMILES
C1CCC(CC1)CCN2C(=O)CC3=C2C=CC(=C3)C4CCCCC4
InChI
InChI=1S/C22H31NO/c24-22-16-20-15-19(18-9-5-2-6-10-18)11-12-21(20)23(22)14-13-17-7-3-1-4-8-17/h11-12,15,17-18H,1-10,13-14,16H2
InChIKey
BQHSSTBKDKQDPD-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1-(2-cyclohexylethyl)-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.24057 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24785 183.0
[M+Na]+ 348.22979 184.4
[M-H]- 324.23329 189.5
[M+NH4]+ 343.27439 197.4
[M+K]+ 364.20373 178.4
[M+H-H2O]+ 308.23783 173.0
[M+HCOO]- 370.23877 195.3
[M+CH3COO]- 384.25442 190.7
[M+Na-2H]- 346.21524 179.6
[M]+ 325.24002 173.7
[M]- 325.24112 173.7
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.