CID 6479579

(5z)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-5-[[4-(4-oxochromen-2-yl)phenyl]methylene]thiazolidine-2,4-dione

Structural Information

Molecular Formula
C27H16N2O7S
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)/C=C\4/C(=O)N(C(=O)S4)CC(=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C27H16N2O7S/c30-21-14-24(36-23-4-2-1-3-20(21)23)18-7-5-16(6-8-18)13-25-26(32)28(27(33)37-25)15-22(31)17-9-11-19(12-10-17)29(34)35/h1-14H,15H2/b25-13-
InChIKey
ZRDYMZBIMFEYNX-MXAYSNPKSA-N
Compound name
(5Z)-3-[2-(4-nitrophenyl)-2-oxoethyl]-5-[[4-(4-oxochromen-2-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

512.0678 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.07508 222.5
[M+Na]+ 535.05702 227.8
[M-H]- 511.06052 235.5
[M+NH4]+ 530.10162 226.8
[M+K]+ 551.03096 218.6
[M+H-H2O]+ 495.06506 216.1
[M+HCOO]- 557.06600 236.4
[M+CH3COO]- 571.08165 234.6
[M+Na-2H]- 533.04247 222.5
[M]+ 512.06725 223.8
[M]- 512.06835 223.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.