CID 3054749

Hsr 405

Structural Information

Molecular Formula
C23H28N
SMILES
C[N+]12CCCCC1CCC(=C(C3=CC=CC=C3)C4=CC=CC=C4)C2
InChI
InChI=1S/C23H28N/c1-24-17-9-8-14-22(24)16-15-21(18-24)23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,22H,8-9,14-18H2,1H3/q+1
InChIKey
DDXNMYMHOUECOY-UHFFFAOYSA-N
Compound name
7-benzhydrylidene-5-methyl-1,2,3,4,6,8,9,9a-octahydroquinolizin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.22217 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22945 182.7
[M+Na]+ 341.21139 184.3
[M-H]- 317.21489 189.4
[M+NH4]+ 336.25599 196.8
[M+K]+ 357.18533 172.1
[M+H-H2O]+ 301.21943 174.0
[M+HCOO]- 363.22037 194.9
[M+CH3COO]- 377.23602 200.5
[M+Na-2H]- 339.19684 186.5
[M]+ 318.22162 171.4
[M]- 318.22272 171.4
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.