CID 9578475

31968-01-1

Structural Information

Molecular Formula
C12H12N4O4S
SMILES
C1COCCN1/N=C/C2=CSC(=N2)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C12H12N4O4S/c17-16(18)11-2-1-10(20-11)12-14-9(8-21-12)7-13-15-3-5-19-6-4-15/h1-2,7-8H,3-6H2/b13-7+
InChIKey
KTDVSWLHSVDKGS-NTUHNPAUSA-N
Compound name
(E)-N-morpholin-4-yl-1-[2-(5-nitrofuran-2-yl)-1,3-thiazol-4-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.05792 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06520 166.3
[M+Na]+ 331.04714 172.9
[M-H]- 307.05064 176.9
[M+NH4]+ 326.09174 178.9
[M+K]+ 347.02108 168.2
[M+H-H2O]+ 291.05518 162.8
[M+HCOO]- 353.05612 186.3
[M+CH3COO]- 367.07177 196.2
[M+Na-2H]- 329.03259 170.8
[M]+ 308.05737 167.2
[M]- 308.05847 167.2
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

No patent data available for this compound.