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 174.5
[M+Na]+ 326.18792 178.8
[M-H]- 302.19142 181.1
[M+NH4]+ 321.23252 189.0
[M+K]+ 342.16186 175.3
[M+H-H2O]+ 286.19596 166.8
[M+HCOO]- 348.19690 188.6
[M+CH3COO]- 362.21255 183.4
[M+Na-2H]- 324.17337 177.5
[M]+ 303.19815 166.1
[M]- 303.19925 166.1
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.