CID 60544

Brn 5163724

Structural Information

Molecular Formula
C17H14N4O5S
SMILES
C1C(=O)N(C(=NC2=CC=CC=C2)S1)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H14N4O5S/c22-15(10-26-14-8-6-13(7-9-14)21(24)25)19-20-16(23)11-27-17(20)18-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22)
InChIKey
SCWOJWZNFNUVGD-UHFFFAOYSA-N
Compound name
2-(4-nitrophenoxy)-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.06848 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.07576 182.7
[M+Na]+ 409.05770 192.8
[M+NH4]+ 404.10230 188.3
[M+K]+ 425.03164 190.0
[M-H]- 385.06120 188.5
[M+Na-2H]- 407.04315 189.7
[M]+ 386.06793 185.7
[M]- 386.06903 185.7
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.