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 187.9
[M+Na]+ 327.18316 196.0
[M-H]- 303.18666 188.0
[M+NH4]+ 322.22776 203.4
[M+K]+ 343.15710 181.8
[M+H-H2O]+ 287.19120 178.3
[M+HCOO]- 349.19214 202.0
[M+CH3COO]- 363.20779 207.0
[M+Na-2H]- 325.16861 188.4
[M]+ 304.19339 180.0
[M]- 304.19449 180.0
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

No patent data available for this compound.