CID 124081729

3-geranyl-3-[(z)-2-isocyanoethenyl]-1h-indole

Structural Information

Molecular Formula
C21H24N2
SMILES
CC(=CCC/C(=C/CC1(C=NC2=CC=CC=C21)/C=C\[N+]#[C-])/C)C
InChI
InChI=1S/C21H24N2/c1-17(2)8-7-9-18(3)12-13-21(14-15-22-4)16-23-20-11-6-5-10-19(20)21/h5-6,8,10-12,14-16H,7,9,13H2,1-3H3/b15-14-,18-12+
InChIKey
RDFHTLPPJOQCJA-DATWYKNKSA-N
Compound name
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-[(Z)-2-isocyanoethenyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.19394 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 177.5
[M+Na]+ 327.18316 189.4
[M+NH4]+ 322.22776 182.8
[M+K]+ 343.15710 179.0
[M-H]- 303.18666 172.2
[M+Na-2H]- 325.16861 179.5
[M]+ 304.19339 176.9
[M]- 304.19449 176.9
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.