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]+ 305.201216 187.9
[M+Na]+ 327.183158 196.0
[M-H]- 303.186664 188.0
[M+NH4]+ 322.227763 203.4
[M+K]+ 343.157098 181.8
[M+H-H2O]+ 287.191200 178.3
[M+HCOO]- 349.192141 202.0
[M+CH3COO]- 363.207791 207.0
[M+Na-2H]- 325.168606 188.4
[M]+ 304.19339142 180.0
[M]- 304.19448858 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.