CID 24879

10058-61-4

Structural Information

Molecular Formula
C24H34N2
SMILES
C[N+](C)(C)CC[N+](C)(C)CC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C24H34N2/c1-25(2,3)14-15-26(4,5)17-18-16-23-19-10-6-8-12-21(19)24(18)22-13-9-7-11-20(22)23/h6-13,18,23-24H,14-17H2,1-5H3/q+2
InChIKey
GNMQGLWWLABMTJ-UHFFFAOYSA-N
Compound name
dimethyl-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-[2-(trimethylazaniumyl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2722 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.27948 185.3
[M+Na]+ 373.26142 186.8
[M-H]- 349.26492 189.1
[M+NH4]+ 368.30602 203.1
[M+K]+ 389.23536 172.4
[M+H-H2O]+ 333.26946 181.5
[M+HCOO]- 395.27040 196.7
[M+CH3COO]- 409.28605 221.2
[M+Na-2H]- 371.24687 199.7
[M]+ 350.27165 186.5
[M]- 350.27275 186.5
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.