CID 3066756

3-(2-benzoyl-4-nitrophenyl)-2-((4-ethoxyphenyl)imino)-4-thiazolidinone

Structural Information

Molecular Formula
C24H19N3O5S
SMILES
CCOC1=CC=C(C=C1)N=C2N(C(=O)CS2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H19N3O5S/c1-2-32-19-11-8-17(9-12-19)25-24-26(22(28)15-33-24)21-13-10-18(27(30)31)14-20(21)23(29)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3
InChIKey
RWGZDJTUPCQPSM-UHFFFAOYSA-N
Compound name
3-(2-benzoyl-4-nitrophenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.10455 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.111826 210.3
[M+Na]+ 484.093768 214.1
[M-H]- 460.097274 222.8
[M+NH4]+ 479.138373 217.7
[M+K]+ 500.067708 204.7
[M+H-H2O]+ 444.101810 203.6
[M+HCOO]- 506.102751 228.6
[M+CH3COO]- 520.118401 229.0
[M+Na-2H]- 482.079216 210.2
[M]+ 461.10400142 210.5
[M]- 461.10509858 210.5
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.