CID 214061

3-(10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-ylidene)tropane dimethylsulfate

Structural Information

Molecular Formula
C24H28N
SMILES
C[N+]1(C2CCC1CC(=C3C4=CC=CC=C4CCC5=CC=CC=C53)C2)C
InChI
InChI=1S/C24H28N/c1-25(2)20-13-14-21(25)16-19(15-20)24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,20-21H,11-16H2,1-2H3/q+1
InChIKey
SACGCRUXQIDIEW-UHFFFAOYSA-N
Compound name
8,8-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-8-azoniabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.22217 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22945 186.4
[M+Na]+ 353.21139 192.2
[M-H]- 329.21489 193.4
[M+NH4]+ 348.25599 205.0
[M+K]+ 369.18533 180.5
[M+H-H2O]+ 313.21943 181.2
[M+HCOO]- 375.22037 198.1
[M+CH3COO]- 389.23602 194.9
[M+Na-2H]- 351.19684 189.4
[M]+ 330.22162 177.5
[M]- 330.22272 177.5
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.