CID 9587899

Brn 1045520

Structural Information

Molecular Formula
C13H13N5O4S2
SMILES
C1COCCN1C(=O)N/N=C/C2=CSC(=N2)C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C13H13N5O4S2/c19-13(17-3-5-22-6-4-17)16-14-7-9-8-23-12(15-9)10-1-2-11(24-10)18(20)21/h1-2,7-8H,3-6H2,(H,16,19)/b14-7+
InChIKey
BRICZLBMMJDMGE-VGOFMYFVSA-N
Compound name
N-[(E)-[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methylideneamino]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0409 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.04818 172.8
[M+Na]+ 390.03012 181.5
[M+NH4]+ 385.07472 178.9
[M+K]+ 406.00406 179.9
[M-H]- 366.03362 179.0
[M+Na-2H]- 388.01557 178.2
[M]+ 367.04035 176.1
[M]- 367.04145 176.1
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.