CID 214019

3-(5h-dibenzo(a,d)cyclohepten-5-ylidene)tropane hydrochloride

Structural Information

Molecular Formula
C23H23N
SMILES
CN1C2CCC1CC(=C3C4=CC=CC=C4C=CC5=CC=CC=C53)C2
InChI
InChI=1S/C23H23N/c1-24-19-12-13-20(24)15-18(14-19)23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-11,19-20H,12-15H2,1H3
InChIKey
DRKFYSJTWFHOIQ-UHFFFAOYSA-N
Compound name
8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.18304 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19032 177.5
[M+Na]+ 336.17226 190.5
[M+NH4]+ 331.21686 187.7
[M+K]+ 352.14620 183.0
[M-H]- 312.17576 182.6
[M+Na-2H]- 334.15771 182.3
[M]+ 313.18249 181.0
[M]- 313.18359 181.0
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.