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 167.0
[M+Na]+ 348.01955 174.8
[M-H]- 324.02305 175.8
[M+NH4]+ 343.06415 179.5
[M+K]+ 363.99349 167.7
[M+H-H2O]+ 308.02759 163.6
[M+HCOO]- 370.02853 181.7
[M+CH3COO]- 384.04418 198.1
[M+Na-2H]- 346.00500 169.8
[M]+ 325.02978 166.7
[M]- 325.03088 166.7
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.