CID 49559

5h-dibenzo(a,d)cycloheptene, 10,11-dihydro-5-(2-(1-methyl-2-piperidyl)ethylidene)-, hydrogen sulfate

Structural Information

Molecular Formula
C23H27N
SMILES
CN1CCCCC1CC=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C23H27N/c1-24-17-7-6-10-20(24)15-16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-5,8-9,11-12,16,20H,6-7,10,13-15,17H2,1H3
InChIKey
GUXYIEIWNJPSMV-UHFFFAOYSA-N
Compound name
1-methyl-2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.22164 178.9
[M+Na]+ 340.20358 182.7
[M-H]- 316.20708 185.3
[M+NH4]+ 335.24818 192.9
[M+K]+ 356.17752 179.0
[M+H-H2O]+ 300.21162 171.0
[M+HCOO]- 362.21256 192.6
[M+CH3COO]- 376.22821 187.4
[M+Na-2H]- 338.18903 181.3
[M]+ 317.21381 170.7
[M]- 317.21491 170.7
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.