CID 9587928

Brn 0841450

Structural Information

Molecular Formula
C11H11N5O2S3
SMILES
C1CSCCN1/N=C/C2=CSC(=N2)C3=NC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C11H11N5O2S3/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
PRIOFVCCLFAJMH-WLRTZDKTSA-N
Compound name
(E)-1-[2-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-thiomorpholin-4-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.00748 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.01476 169.4
[M+Na]+ 363.99670 177.6
[M-H]- 340.00020 176.6
[M+NH4]+ 359.04130 182.6
[M+K]+ 379.97064 167.6
[M+H-H2O]+ 324.00474 166.4
[M+HCOO]- 386.00568 178.9
[M+CH3COO]- 400.02133 201.1
[M+Na-2H]- 361.98215 170.9
[M]+ 341.00693 166.7
[M]- 341.00803 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.