CID 9570262

(ethanediylidenebis(nitrilooxytrimethylene))bis(triethylammonium) diiodide

Structural Information

Molecular Formula
C20H44N4O2
SMILES
CC[N+](CCCO/N=C/C=N/OCCC[N+](CC)(CC)CC)(CC)CC
InChI
InChI=1S/C20H44N4O2/c1-7-23(8-2,9-3)17-13-19-25-21-15-16-22-26-20-14-18-24(10-4,11-5)12-6/h15-16H,7-14,17-20H2,1-6H3/q+2/b21-15+,22-16+
InChIKey
GTLILYCCTCBYFY-YHARCJFQSA-N
Compound name
triethyl-[3-[(E)-[(2E)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.34644 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.35372 250.0
[M+Na]+ 395.33566 262.6
[M-H]- 371.33916 251.1
[M+NH4]+ 390.38026 254.0
[M+K]+ 411.30960 251.7
[M+H-H2O]+ 355.34370 188.7
[M+HCOO]- 417.34464 272.4
[M+CH3COO]- 431.36029 227.6
[M+Na-2H]- 393.32111 238.9
[M]+ 372.34589 247.4
[M]- 372.34699 247.4
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.