CID 489145

(2z)-5-butyl-3-(p-tolyl)-2-(p-tolylimino)thiazolidin-4-one

Structural Information

Molecular Formula
C21H24N2OS
SMILES
CCCCC1C(=O)N(C(=NC2=CC=C(C=C2)C)S1)C3=CC=C(C=C3)C
InChI
InChI=1S/C21H24N2OS/c1-4-5-6-19-20(24)23(18-13-9-16(3)10-14-18)21(25-19)22-17-11-7-15(2)8-12-17/h7-14,19H,4-6H2,1-3H3
InChIKey
ISAJGMAMESGINR-UHFFFAOYSA-N
Compound name
5-butyl-3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.16095 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16823 186.0
[M+Na]+ 375.15017 194.1
[M-H]- 351.15367 196.0
[M+NH4]+ 370.19477 201.0
[M+K]+ 391.12411 187.7
[M+H-H2O]+ 335.15821 177.1
[M+HCOO]- 397.15915 204.2
[M+CH3COO]- 411.17480 218.5
[M+Na-2H]- 373.13562 182.8
[M]+ 352.16040 188.9
[M]- 352.16150 188.9
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.