CID 24846833

Brn 5638179

Structural Information

Molecular Formula
C17H10N4O4S
SMILES
C1=CC=C(C=C1)C2=NN=C3N2C(=O)/C(=C\C=C\C4=CC=C(O4)[N+](=O)[O-])/S3
InChI
InChI=1S/C17H10N4O4S/c22-16-13(8-4-7-12-9-10-14(25-12)21(23)24)26-17-19-18-15(20(16)17)11-5-2-1-3-6-11/h1-10H/b7-4+,13-8+
InChIKey
QRQZQRHUMUDHNN-ZAUJTXRMSA-N
Compound name
(6E)-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.04227 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.04955 178.8
[M+Na]+ 389.03149 193.8
[M+NH4]+ 384.07609 185.0
[M+K]+ 405.00543 193.3
[M-H]- 365.03499 184.5
[M+Na-2H]- 387.01694 185.5
[M]+ 366.04172 182.8
[M]- 366.04282 182.8
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.