CID 91668071

72361-34-3

Structural Information

Molecular Formula
C40H50N2O2
SMILES
C[N+](C)(C)CC(CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(C[N+](C)(C)C)OC3=CC=CC=C3C=C)OC4=CC=CC=C4C=C
InChI
InChI=1S/C40H50N2O2/c1-9-33-15-11-13-17-39(33)43-37(29-41(3,4)5)27-31-19-23-35(24-20-31)36-25-21-32(22-26-36)28-38(30-42(6,7)8)44-40-18-14-12-16-34(40)10-2/h9-26,37-38H,1-2,27-30H2,3-8H3/q+2
InChIKey
ZXKTVWSZTKFURX-UHFFFAOYSA-N
Compound name
[2-(2-ethenylphenoxy)-3-[4-[4-[2-(2-ethenylphenoxy)-3-(trimethylazaniumyl)propyl]phenyl]phenyl]propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.3872 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.39448 258.8
[M+Na]+ 613.37642 257.7
[M-H]- 589.37992 271.0
[M+NH4]+ 608.42102 260.7
[M+K]+ 629.35036 240.6
[M+H-H2O]+ 573.38446 249.8
[M+HCOO]- 635.38540 274.5
[M+CH3COO]- 649.40105 259.5
[M+Na-2H]- 611.36187 260.5
[M]+ 590.38665 259.8
[M]- 590.38775 259.8
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.