CID 57404070

Ab-001

Structural Information

Molecular Formula
C24H31NO
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C24H31NO/c1-2-3-6-9-25-16-21(20-7-4-5-8-22(20)25)23(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3
InChIKey
SHWDYCMMUPPWQM-UHFFFAOYSA-N
Compound name
1-adamantyl-(1-pentylindol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

349.24057 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24785 184.3
[M+Na]+ 372.22979 185.8
[M-H]- 348.23329 181.7
[M+NH4]+ 367.27439 205.0
[M+K]+ 388.20373 179.0
[M+H-H2O]+ 332.23783 173.9
[M+HCOO]- 394.23877 188.7
[M+CH3COO]- 408.25442 190.3
[M+Na-2H]- 370.21524 189.0
[M]+ 349.24002 186.3
[M]- 349.24112 186.3
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

No patent data available for this compound.