CID 422981

C22h23no

Structural Information

Molecular Formula
C22H23NO
SMILES
C1CCC(CC1)NC2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C4
InChI
InChI=1S/C22H23NO/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2
InChIKey
XJDKPLZUXCIMIS-UHFFFAOYSA-N
Compound name
2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

77
Patents

317.17798 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18526 176.1
[M+Na]+ 340.16720 180.2
[M-H]- 316.17070 185.4
[M+NH4]+ 335.21180 192.3
[M+K]+ 356.14114 173.3
[M+H-H2O]+ 300.17524 167.3
[M+HCOO]- 362.17618 195.5
[M+CH3COO]- 376.19183 186.0
[M+Na-2H]- 338.15265 176.8
[M]+ 317.17743 169.4
[M]- 317.17853 169.4
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.