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]+ 304.205976 174.5
[M+Na]+ 326.187918 178.8
[M-H]- 302.191424 181.1
[M+NH4]+ 321.232523 189.0
[M+K]+ 342.161858 175.3
[M+H-H2O]+ 286.195960 166.8
[M+HCOO]- 348.196901 188.6
[M+CH3COO]- 362.212551 183.4
[M+Na-2H]- 324.173366 177.5
[M]+ 303.19815142 166.1
[M]- 303.19924858 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.