CID 6444803

18198-06-6

Structural Information

Molecular Formula
C25H31N
SMILES
CC(=CCC/C(=C/CN1CC2=CC=CC=C2CC3=CC=CC=C3C1)/C)C
InChI
InChI=1S/C25H31N/c1-20(2)9-8-10-21(3)15-16-26-18-24-13-6-4-11-22(24)17-23-12-5-7-14-25(23)19-26/h4-7,9,11-15H,8,10,16-19H2,1-3H3/b21-15+
InChIKey
GWMLIYHWZMOEJW-RCCKNPSSSA-N
Compound name
11-[(2E)-3,7-dimethylocta-2,6-dienyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.24564 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.25292 175.3
[M+Na]+ 368.23486 179.4
[M+NH4]+ 363.27946 177.9
[M+K]+ 384.20880 176.5
[M-H]- 344.23836 176.3
[M+Na-2H]- 366.22031 176.9
[M]+ 345.24509 176.1
[M]- 345.24619 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.