CID 49395

5h-dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(1-methyl-3-piperidylmethylene)-, hydrogen sulfate

Structural Information

Molecular Formula
C22H25N
SMILES
CN1CCCC(C1)C=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C22H25N/c1-23-14-6-7-17(16-23)15-22-20-10-4-2-8-18(20)12-13-19-9-3-5-11-21(19)22/h2-5,8-11,15,17H,6-7,12-14,16H2,1H3
InChIKey
QHTXGFDEJGVLGY-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1987 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20598 176.9
[M+Na]+ 326.18792 189.9
[M+NH4]+ 321.23252 186.3
[M+K]+ 342.16186 180.9
[M-H]- 302.19142 182.6
[M+Na-2H]- 324.17337 183.7
[M]+ 303.19815 180.6
[M]- 303.19925 180.6
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.