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 178.2
[M+Na]+ 368.23486 181.6
[M-H]- 344.23836 179.3
[M+NH4]+ 363.27946 184.4
[M+K]+ 384.20880 179.1
[M+H-H2O]+ 328.24290 172.9
[M+HCOO]- 390.24384 184.1
[M+CH3COO]- 404.25949 180.7
[M+Na-2H]- 366.22031 175.8
[M]+ 345.24509 177.1
[M]- 345.24619 177.1
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.