CID 473164

3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2-(3-nitrophenyl)thiazolidin-4-one

Structural Information

Molecular Formula
C19H20N2O4S
SMILES
CC1=CC(=C(C=C1N2C(SCC2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(C)C)O
InChI
InChI=1S/C19H20N2O4S/c1-11(2)15-9-16(12(3)7-17(15)22)20-18(23)10-26-19(20)13-5-4-6-14(8-13)21(24)25/h4-9,11,19,22H,10H2,1-3H3
InChIKey
LNVCOHZTZREJRT-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.11438 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12166 186.6
[M+Na]+ 395.10360 192.5
[M-H]- 371.10710 194.4
[M+NH4]+ 390.14820 198.2
[M+K]+ 411.07754 183.3
[M+H-H2O]+ 355.11164 183.1
[M+HCOO]- 417.11258 201.1
[M+CH3COO]- 431.12823 209.6
[M+Na-2H]- 393.08905 184.2
[M]+ 372.11383 185.8
[M]- 372.11493 185.8
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.