CID 24867

10047-96-8

Structural Information

Molecular Formula
C23H32N2
SMILES
C[N+](C)(C)CC[N+](C)(C)C1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C23H32N2/c1-24(2,3)14-15-25(4,5)22-16-21-17-10-6-8-12-19(17)23(22)20-13-9-7-11-18(20)21/h6-13,21-23H,14-16H2,1-5H3/q+2
InChIKey
YKLLKRWLRDFKKH-UHFFFAOYSA-N
Compound name
dimethyl-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)-[2-(trimethylazaniumyl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.25656 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.263836 180.5
[M+Na]+ 359.245778 182.4
[M-H]- 335.249284 184.5
[M+NH4]+ 354.290383 198.9
[M+K]+ 375.219718 168.2
[M+H-H2O]+ 319.253820 176.9
[M+HCOO]- 381.254761 192.2
[M+CH3COO]- 395.270411 218.4
[M+Na-2H]- 357.231226 195.4
[M]+ 336.25601142 181.4
[M]- 336.25710858 181.4
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.