CID 9568048

Brn 0566060

Structural Information

Molecular Formula
C12H12N4O3S2
SMILES
C1COCCN1/N=C/C2=CSC(=N2)C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C12H12N4O3S2/c17-16(18)11-2-1-10(21-11)12-14-9(8-20-12)7-13-15-3-5-19-6-4-15/h1-2,7-8H,3-6H2/b13-7+
InChIKey
LUPRSPJXHHNCQT-NTUHNPAUSA-N
Compound name
(E)-N-morpholin-4-yl-1-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.0351 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04238 163.4
[M+Na]+ 347.02432 174.4
[M+NH4]+ 342.06892 171.2
[M+K]+ 362.99826 171.2
[M-H]- 323.02782 170.4
[M+Na-2H]- 345.00977 169.6
[M]+ 324.03455 167.5
[M]- 324.03565 167.5
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.