CID 24844760

1,1'-(p-phenylenedimethylene)bis(4-pentylpyridinium bromide)

Structural Information

Molecular Formula
C23H32N
SMILES
CC1CCCC2=CC=CC=[N+]2CCCC(CC3=CC=C(C1)C=C3)C
InChI
InChI=1S/C23H32N/c1-19-7-5-10-23-9-3-4-15-24(23)16-6-8-20(2)18-22-13-11-21(17-19)12-14-22/h3-4,9,11-15,19-20H,5-8,10,16-18H2,1-2H3/q+1
InChIKey
LAWSEFJIGHHWHZ-UHFFFAOYSA-N
Compound name
3,16-dimethyl-7-azoniatricyclo[16.2.2.07,12]docosa-1(21),7,9,11,18(22),19-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.25348 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.26076 186.6
[M+Na]+ 345.24270 184.1
[M-H]- 321.24620 170.9
[M+NH4]+ 340.28730 200.5
[M+K]+ 361.21664 177.5
[M+H-H2O]+ 305.25074 186.4
[M+HCOO]- 367.25168 185.3
[M+CH3COO]- 381.26733 187.8
[M+Na-2H]- 343.22815 195.4
[M]+ 322.25293 182.7
[M]- 322.25403 182.7
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.