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]+ 373.284956 192.3
[M+Na]+ 395.266898 197.8
[M-H]- 371.270404 201.8
[M+NH4]+ 390.311503 205.7
[M+K]+ 411.240838 184.5
[M+H-H2O]+ 355.274940 189.2
[M+HCOO]- 417.275881 214.3
[M+CH3COO]- 431.291531 220.4
[M+Na-2H]- 393.252346 201.2
[M]+ 372.27713142 196.6
[M]- 372.27822858 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.