CID 201355

Ammonium, methylenebis(6-methoxy-m-phenylene)dimethylenebis(trimethyl-, diiodide

Structural Information

Molecular Formula
C23H36N2O2
SMILES
C[N+](C)(C)CC1=CC(=C(C=C1)OC)CC2=C(C=CC(=C2)C[N+](C)(C)C)OC
InChI
InChI=1S/C23H36N2O2/c1-24(2,3)16-18-9-11-22(26-7)20(13-18)15-21-14-19(17-25(4,5)6)10-12-23(21)27-8/h9-14H,15-17H2,1-8H3/q+2
InChIKey
JCGPKJWLTSKOMP-UHFFFAOYSA-N
Compound name
[4-methoxy-3-[[2-methoxy-5-[(trimethylazaniumyl)methyl]phenyl]methyl]phenyl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.27768 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28496 192.3
[M+Na]+ 395.26690 197.8
[M-H]- 371.27040 201.8
[M+NH4]+ 390.31150 205.7
[M+K]+ 411.24084 184.5
[M+H-H2O]+ 355.27494 189.2
[M+HCOO]- 417.27588 214.3
[M+CH3COO]- 431.29153 220.4
[M+Na-2H]- 393.25235 201.2
[M]+ 372.27713 196.6
[M]- 372.27823 196.6
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.