CID 5374226

3-geranylgeranylindole

Structural Information

Molecular Formula
C28H39N
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=CNC2=CC=CC=C21)/C)/C)/C)C
InChI
InChI=1S/C28H39N/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29-28-18-7-6-17-27(26)28/h6-7,11,13,15,17-19,21,29H,8-10,12,14,16,20H2,1-5H3/b23-13+,24-15+,25-19+
InChIKey
NABXYEMKOPGTET-XKFYHEJLSA-N
Compound name
3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

389.30826 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.31554 209.1
[M+Na]+ 412.29748 211.5
[M-H]- 388.30098 208.8
[M+NH4]+ 407.34208 221.4
[M+K]+ 428.27142 202.6
[M+H-H2O]+ 372.30552 200.8
[M+HCOO]- 434.30646 223.2
[M+CH3COO]- 448.32211 223.8
[M+Na-2H]- 410.28293 202.5
[M]+ 389.30771 210.0
[M]- 389.30881 210.0
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