CID 214021

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

Structural Information

Molecular Formula
C24H26N
SMILES
C[N+]1(C2CCC1CC(=C3C4=CC=CC=C4C=CC5=CC=CC=C53)C2)C
InChI
InChI=1S/C24H26N/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/h3-12,20-21H,13-16H2,1-2H3/q+1
InChIKey
MHPLGZGMFSNILZ-UHFFFAOYSA-N
Compound name
8,8-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-8-azoniabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.2065 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.21378 185.9
[M+Na]+ 351.19572 192.7
[M-H]- 327.19922 193.4
[M+NH4]+ 346.24032 204.7
[M+K]+ 367.16966 181.0
[M+H-H2O]+ 311.20376 180.8
[M+HCOO]- 373.20470 199.0
[M+CH3COO]- 387.22035 194.9
[M+Na-2H]- 349.18117 189.9
[M]+ 328.20595 178.5
[M]- 328.20705 178.5
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.