CID 63312

Brn 5659103

Structural Information

Molecular Formula
C23H16N4O4S
SMILES
C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C23H16N4O4S/c28-20-14-32-23(16-9-6-10-17(13-16)27(30)31)25(20)26-21(15-7-2-1-3-8-15)24-19-12-5-4-11-18(19)22(26)29/h1-13,23H,14H2
InChIKey
MMXFVFSZADUWGE-UHFFFAOYSA-N
Compound name
2-(3-nitrophenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.08923 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.09651 204.0
[M+Na]+ 467.07845 210.9
[M-H]- 443.08195 214.2
[M+NH4]+ 462.12305 210.2
[M+K]+ 483.05239 199.4
[M+H-H2O]+ 427.08649 196.7
[M+HCOO]- 489.08743 217.8
[M+CH3COO]- 503.10308 222.2
[M+Na-2H]- 465.06390 206.3
[M]+ 444.08868 202.6
[M]- 444.08978 202.6
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.