CID 6507933

Brn 0580967

Structural Information

Molecular Formula
C14H13N3O5S
SMILES
CC1=C(SC(=N1)/C=C/C2=CC=C(O2)[N+](=O)[O-])/C(=N\OC(=O)C)/C
InChI
InChI=1S/C14H13N3O5S/c1-8-14(9(2)16-22-10(3)18)23-12(15-8)6-4-11-5-7-13(21-11)17(19)20/h4-7H,1-3H3/b6-4+,16-9-
InChIKey
BTSCLWGSJKEMPB-IXGNKIAJSA-N
Compound name
[(Z)-1-[4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-5-yl]ethylideneamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0576 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06488 175.2
[M+Na]+ 358.04682 185.1
[M+NH4]+ 353.09142 180.2
[M+K]+ 374.02076 185.4
[M-H]- 334.05032 178.8
[M+Na-2H]- 356.03227 178.4
[M]+ 335.05705 177.5
[M]- 335.05815 177.5
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.