CID 52783

Brn 1325015

Structural Information

Molecular Formula
C24H31N
SMILES
CN1CCCCC1CCC2CCC3=CC=CC=C3CC4=CC=CC=C24
InChI
InChI=1S/C24H31N/c1-25-17-7-6-11-23(25)16-15-20-14-13-19-8-2-3-9-21(19)18-22-10-4-5-12-24(20)22/h2-5,8-10,12,20,23H,6-7,11,13-18H2,1H3
InChIKey
OCHHXNUXFGRRLJ-UHFFFAOYSA-N
Compound name
1-methyl-2-[2-(9-tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.24564 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.25292 174.3
[M+Na]+ 356.23486 177.3
[M-H]- 332.23836 176.5
[M+NH4]+ 351.27946 180.5
[M+K]+ 372.20880 175.0
[M+H-H2O]+ 316.24290 168.4
[M+HCOO]- 378.24384 179.7
[M+CH3COO]- 392.25949 176.9
[M+Na-2H]- 354.22031 172.5
[M]+ 333.24509 171.3
[M]- 333.24619 171.3
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.