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]+ 337.26384 180.5
[M+Na]+ 359.24578 182.4
[M-H]- 335.24928 184.5
[M+NH4]+ 354.29038 198.9
[M+K]+ 375.21972 168.2
[M+H-H2O]+ 319.25382 176.9
[M+HCOO]- 381.25476 192.2
[M+CH3COO]- 395.27041 218.4
[M+Na-2H]- 357.23123 195.4
[M]+ 336.25601 181.4
[M]- 336.25711 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.