CID 386926

Nsc680089

Structural Information

Molecular Formula
C22H19N3O3S2
SMILES
C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C22H19N3O3S2/c26-20-13-29-21(15-7-9-18(10-8-15)25(27)28)24(20)22-23-19(12-30-22)17-6-5-14-3-1-2-4-16(14)11-17/h5-12,21H,1-4,13H2
InChIKey
HTXSNCDQUOKHEB-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-3-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.0868 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.09408 200.6
[M+Na]+ 460.07602 206.2
[M-H]- 436.07952 211.4
[M+NH4]+ 455.12062 211.4
[M+K]+ 476.04996 195.6
[M+H-H2O]+ 420.08406 197.2
[M+HCOO]- 482.08500 209.7
[M+CH3COO]- 496.10065 218.4
[M+Na-2H]- 458.06147 198.8
[M]+ 437.08625 197.6
[M]- 437.08735 197.6
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.