CID 26825

9,10-dihydro-11-(3-dimethylaminopropyl)9,10-ethanoanthracene methyliodide

Structural Information

Molecular Formula
C22H28N
SMILES
C[N+](C)(C)CCCC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C22H28N/c1-23(2,3)14-8-9-16-15-21-17-10-4-6-12-19(17)22(16)20-13-7-5-11-18(20)21/h4-7,10-13,16,21-22H,8-9,14-15H2,1-3H3/q+1
InChIKey
MYSHQQDVOQRAQT-UHFFFAOYSA-N
Compound name
trimethyl-[3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.22217 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22945 174.7
[M+Na]+ 329.21139 177.7
[M-H]- 305.21489 177.6
[M+NH4]+ 324.25599 194.4
[M+K]+ 345.18533 167.4
[M+H-H2O]+ 289.21943 168.5
[M+HCOO]- 351.22037 186.7
[M+CH3COO]- 365.23602 213.8
[M+Na-2H]- 327.19684 186.0
[M]+ 306.22162 176.2
[M]- 306.22272 176.2
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.