CID 202266

9,10-dihydro-11-(4-methyl-1-piperazinylmethyl)-9,10-ethanoanthracene dimethyliodide

Structural Information

Molecular Formula
C24H32N2
SMILES
C[N+]1(CC[N+](CC1)(C)CC2CC3C4=CC=CC=C4C2C5=CC=CC=C35)C
InChI
InChI=1S/C24H32N2/c1-25(2)12-14-26(3,15-13-25)17-18-16-23-19-8-4-6-10-21(19)24(18)22-11-7-5-9-20(22)23/h4-11,18,23-24H,12-17H2,1-3H3/q+2
InChIKey
BRSUJDHUVILKTH-UHFFFAOYSA-N
Compound name
1,1,4-trimethyl-4-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)piperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.25656 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.26384 184.2
[M+Na]+ 371.24578 187.2
[M-H]- 347.24928 185.8
[M+NH4]+ 366.29038 201.9
[M+K]+ 387.21972 169.7
[M+H-H2O]+ 331.25382 175.0
[M+HCOO]- 393.25476 188.5
[M+CH3COO]- 407.27041 209.1
[M+Na-2H]- 369.23123 194.2
[M]+ 348.25601 179.1
[M]- 348.25711 179.1
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.