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 178.4
[M+Na]+ 390.03012 183.6
[M-H]- 366.03362 187.8
[M+NH4]+ 385.07472 189.7
[M+K]+ 406.00406 176.4
[M+H-H2O]+ 350.03816 174.8
[M+HCOO]- 412.03910 193.6
[M+CH3COO]- 426.05475 206.5
[M+Na-2H]- 388.01557 181.2
[M]+ 367.04035 177.4
[M]- 367.04145 177.4
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.