CID 49768248

3-farnesylindole

Structural Information

Molecular Formula
C23H33N
SMILES
CC(=CCC/C(=C/CC/C(=C/CC1CNC2=CC=CC=C12)/C)/C)C
InChI
InChI=1S/C23H33N/c1-18(2)9-7-10-19(3)11-8-12-20(4)15-16-21-17-24-23-14-6-5-13-22(21)23/h5-6,9,11,13-15,21,24H,7-8,10,12,16-17H2,1-4H3/b19-11+,20-15+
InChIKey
ZZFPPZXXZGMWBZ-NKFKFSAASA-N
Compound name
3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

323.2613 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.26858 189.6
[M+Na]+ 346.25052 192.0
[M-H]- 322.25402 189.3
[M+NH4]+ 341.29512 204.5
[M+K]+ 362.22446 184.9
[M+H-H2O]+ 306.25856 182.0
[M+HCOO]- 368.25950 203.3
[M+CH3COO]- 382.27515 210.3
[M+Na-2H]- 344.23597 184.9
[M]+ 323.26075 187.2
[M]- 323.26185 187.2
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