CID 25790

13221-98-2

Structural Information

Molecular Formula
C24H38N2
SMILES
C[N+](C)(CCCCCC[N+](C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C24H38N2/c1-25(2,21-23-15-9-7-10-16-23)19-13-5-6-14-20-26(3,4)22-24-17-11-8-12-18-24/h7-12,15-18H,5-6,13-14,19-22H2,1-4H3/q+2
InChIKey
CZZFJNRLJJVUIP-UHFFFAOYSA-N
Compound name
benzyl-[6-[benzyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.3035 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.31078 191.5
[M+Na]+ 377.29272 193.2
[M-H]- 353.29622 199.1
[M+NH4]+ 372.33732 204.5
[M+K]+ 393.26666 178.2
[M+H-H2O]+ 337.30076 187.6
[M+HCOO]- 399.30170 212.7
[M+CH3COO]- 413.31735 215.6
[M+Na-2H]- 375.27817 201.6
[M]+ 354.30295 192.0
[M]- 354.30405 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe