CID 9587927

Brn 0841449

Structural Information

Molecular Formula
C11H11N5O3S2
SMILES
C1COCCN1/N=C/C2=CSC(=N2)C3=NC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C11H11N5O3S2/c17-16(18)9-6-12-10(21-9)11-14-8(7-20-11)5-13-15-1-3-19-4-2-15/h5-7H,1-4H2/b13-5+
InChIKey
ZKUVRDHELJGVJZ-WLRTZDKTSA-N
Compound name
(E)-N-morpholin-4-yl-1-[2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.03033 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.03761 162.1
[M+Na]+ 348.01955 173.2
[M+NH4]+ 343.06415 169.3
[M+K]+ 363.99349 170.5
[M-H]- 324.02305 168.4
[M+Na-2H]- 346.00500 168.2
[M]+ 325.02978 166.0
[M]- 325.03088 166.0
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.