CID 9570301

((diphenylethanediylidene)bis(nitrilooxymethylene))bis(trimethylammonium) diiodide

Structural Information

Molecular Formula
C24H36N4O2
SMILES
C[N+](CCO/N=C(/C(=N/OCC[N+](C)(C)C)/C1=CC=CC=C1)\C2=CC=CC=C2)(C)C
InChI
InChI=1S/C24H36N4O2/c1-27(2,3)17-19-29-25-23(21-13-9-7-10-14-21)24(22-15-11-8-12-16-22)26-30-20-18-28(4,5)6/h7-16H,17-20H2,1-6H3/q+2/b25-23+,26-24+
InChIKey
FMZLDQWODBTYGG-OGGGYYITSA-N
Compound name
2-[(E)-[(2E)-1,2-diphenyl-2-[2-(trimethylazaniumyl)ethoxyimino]ethylidene]amino]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2838 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.29108 200.4
[M+Na]+ 435.27302 200.8
[M-H]- 411.27652 210.7
[M+NH4]+ 430.31762 211.2
[M+K]+ 451.24696 188.8
[M+H-H2O]+ 395.28106 195.2
[M+HCOO]- 457.28200 225.3
[M+CH3COO]- 471.29765 231.1
[M+Na-2H]- 433.25847 210.9
[M]+ 412.28325 202.7
[M]- 412.28435 202.7
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.