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 177.6
[M+Na]+ 336.17226 184.3
[M-H]- 312.17576 184.9
[M+NH4]+ 331.21686 195.4
[M+K]+ 352.14620 178.7
[M+H-H2O]+ 296.18030 171.1
[M+HCOO]- 358.18124 191.8
[M+CH3COO]- 372.19689 187.3
[M+Na-2H]- 334.15771 179.8
[M]+ 313.18249 171.3
[M]- 313.18359 171.3
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.