CID 9570296

L.m. 2007

Structural Information

Molecular Formula
C16H36N4O2
SMILES
CC[N+](CCO/N=C/C=N/OCC[N+](CC)(CC)C)(CC)C
InChI
InChI=1S/C16H36N4O2/c1-7-19(5,8-2)13-15-21-17-11-12-18-22-16-14-20(6,9-3)10-4/h11-12H,7-10,13-16H2,1-6H3/q+2/b17-11+,18-12+
InChIKey
BBOBVUBSNAPTQY-JYFOCSDGSA-N
Compound name
2-[(E)-[(2E)-2-[2-[diethyl(methyl)azaniumyl]ethoxyimino]ethylidene]amino]oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2838 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.29108 173.1
[M+Na]+ 339.27302 175.8
[M-H]- 315.27652 177.9
[M+NH4]+ 334.31762 239.1
[M+K]+ 355.24696 165.9
[M+H-H2O]+ 299.28106 171.1
[M+HCOO]- 361.28200 258.9
[M+CH3COO]- 375.29765 215.8
[M+Na-2H]- 337.25847 185.1
[M]+ 316.28325 179.0
[M]- 316.28435 179.0
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.