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 185.4
[M+Na]+ 409.05770 188.9
[M-H]- 385.06120 194.9
[M+NH4]+ 404.10230 195.8
[M+K]+ 425.03164 180.9
[M+H-H2O]+ 369.06574 180.0
[M+HCOO]- 431.06668 205.9
[M+CH3COO]- 445.08233 214.1
[M+Na-2H]- 407.04315 188.7
[M]+ 386.06793 184.4
[M]- 386.06903 184.4
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.