CID 9570264

(p-phenylenebis(methylidynenitrilooxytrimethylene))bis(trimethylammonium) diiodide

Structural Information

Molecular Formula
C20H36N4O2
SMILES
C[N+](CCCO/N=C/C1=CC=C(C=C1)/C=N/OCCC[N+](C)(C)C)(C)C
InChI
InChI=1S/C20H36N4O2/c1-23(2,3)13-7-15-25-21-17-19-9-11-20(12-10-19)18-22-26-16-8-14-24(4,5)6/h9-12,17-18H,7-8,13-16H2,1-6H3/q+2/b21-17+,22-18+
InChIKey
XTUXZKNIEZIQBZ-KSTNYAOJSA-N
Compound name
trimethyl-[3-[(E)-[4-[(E)-3-(trimethylazaniumyl)propoxyiminomethyl]phenyl]methylideneamino]oxypropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2838 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.29108 220.9
[M+Na]+ 387.27302 226.4
[M+NH4]+ 382.31762 228.0
[M+K]+ 403.24696 231.0
[M-H]- 363.27652 195.8
[M+Na-2H]- 385.25847 196.6
[M]+ 364.28325 221.7
[M]- 364.28435 221.7
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.