CID 44471149

Dtxsid10659200

Structural Information

Molecular Formula
C12H19N4O4
SMILES
CCOC(=O)/C(=N\OC(=[N+](C)C)N1CCOCC1)/C#N
InChI
InChI=1S/C12H19N4O4/c1-4-19-11(17)10(9-13)14-20-12(15(2)3)16-5-7-18-8-6-16/h4-8H2,1-3H3/q+1/b14-10-
InChIKey
ADROLXVDPJSKRZ-UVTDQMKNSA-N
Compound name
[[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8294
Patents

283.14062 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14790 163.9
[M+Na]+ 306.12984 167.9
[M-H]- 282.13334 167.3
[M+NH4]+ 301.17444 175.2
[M+K]+ 322.10378 164.8
[M+H-H2O]+ 266.13788 151.1
[M+HCOO]- 328.13882 179.7
[M+CH3COO]- 342.15447 209.3
[M+Na-2H]- 304.11529 167.6
[M]+ 283.14007 157.9
[M]- 283.14117 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe