CID 5388343

Nsc635114

Structural Information

Molecular Formula
C23H31N
SMILES
CC(=CCC/C(=C/CC/C(=C/CC1=CNC2=CC=CC=C21)/C)/C)C
InChI
InChI=1S/C23H31N/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/h5-6,9,11,13-15,17,24H,7-8,10,12,16H2,1-4H3/b19-11+,20-15+
InChIKey
GIEWHHJZPKZOFH-NKFKFSAASA-N
Compound name
3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.24564 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.25292 187.3
[M+Na]+ 344.23486 191.8
[M-H]- 320.23836 187.9
[M+NH4]+ 339.27946 202.6
[M+K]+ 360.20880 184.2
[M+H-H2O]+ 304.24290 179.7
[M+HCOO]- 366.24384 204.0
[M+CH3COO]- 380.25949 209.6
[M+Na-2H]- 342.22031 184.6
[M]+ 321.24509 187.9
[M]- 321.24619 187.9
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.