CID 24903

10072-44-3

Structural Information

Molecular Formula
C30H42N2
SMILES
CC(C[N+](C)(C)CC1=CC=CC=C1)C2=CC=C(C=C2)C(C)C[N+](C)(C)CC3=CC=CC=C3
InChI
InChI=1S/C30H42N2/c1-25(21-31(3,4)23-27-13-9-7-10-14-27)29-17-19-30(20-18-29)26(2)22-32(5,6)24-28-15-11-8-12-16-28/h7-20,25-26H,21-24H2,1-6H3/q+2
InChIKey
SDHKFBBJZFYCFJ-UHFFFAOYSA-N
Compound name
benzyl-[2-[4-[1-[benzyl(dimethyl)azaniumyl]propan-2-yl]phenyl]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.3348 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.34208 212.3
[M+Na]+ 453.32402 212.5
[M-H]- 429.32752 222.5
[M+NH4]+ 448.36862 221.5
[M+K]+ 469.29796 196.9
[M+H-H2O]+ 413.33206 206.7
[M+HCOO]- 475.33300 230.5
[M+CH3COO]- 489.34865 230.7
[M+Na-2H]- 451.30947 218.7
[M]+ 430.33425 211.1
[M]- 430.33535 211.1
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.