CID 46922

64049-75-8

Structural Information

Molecular Formula
C29H40N2O
SMILES
CC1=CC(=C(C(=C1C[N+](C)(C)CC2=CC=CC=C2)OC)C[N+](C)(C)CC3=CC=CC=C3)C
InChI
InChI=1S/C29H40N2O/c1-23-18-24(2)28(22-31(5,6)20-26-16-12-9-13-17-26)29(32-7)27(23)21-30(3,4)19-25-14-10-8-11-15-25/h8-18H,19-22H2,1-7H3/q+2
InChIKey
WGPOZPMHPPJETJ-UHFFFAOYSA-N
Compound name
benzyl-[[3-[[benzyl(dimethyl)azaniumyl]methyl]-2-methoxy-4,6-dimethylphenyl]methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.31406 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.32134 213.3
[M+Na]+ 455.30328 217.0
[M-H]- 431.30678 224.8
[M+NH4]+ 450.34788 223.4
[M+K]+ 471.27722 201.4
[M+H-H2O]+ 415.31132 207.7
[M+HCOO]- 477.31226 233.9
[M+CH3COO]- 491.32791 231.8
[M+Na-2H]- 453.28873 220.6
[M]+ 432.31351 215.4
[M]- 432.31461 215.4
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.