CID 3044013

Brn 1024690

Structural Information

Molecular Formula
C12H11N3O4S2
SMILES
C1COCCN1C(=O)C2=CSC(=N2)C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C12H11N3O4S2/c16-12(14-3-5-19-6-4-14)8-7-20-11(13-8)9-1-2-10(21-9)15(17)18/h1-2,7H,3-6H2
InChIKey
YXMWZHHHGNBVMA-UHFFFAOYSA-N
Compound name
morpholin-4-yl-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0191 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.02638 162.9
[M+Na]+ 348.00832 173.8
[M+NH4]+ 343.05292 170.2
[M+K]+ 363.98226 171.8
[M-H]- 324.01182 168.6
[M+Na-2H]- 345.99377 168.2
[M]+ 325.01855 166.6
[M]- 325.01965 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.