CID 3062873

99304-20-8

Structural Information

Molecular Formula
C17H20ClN5OS2
SMILES
C1CN=C(N1)N2C(=O)C(SC2=S)CN3CCN(CC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C17H20ClN5OS2/c18-12-1-3-13(4-2-12)22-9-7-21(8-10-22)11-14-15(24)23(17(25)26-14)16-19-5-6-20-16/h1-4,14H,5-11H2,(H,19,20)
InChIKey
PTYPRJPFLXIAIZ-UHFFFAOYSA-N
Compound name
5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.07977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.08705 193.6
[M+Na]+ 432.06899 202.2
[M-H]- 408.07249 198.7
[M+NH4]+ 427.11359 202.7
[M+K]+ 448.04293 194.1
[M+H-H2O]+ 392.07703 185.7
[M+HCOO]- 454.07797 191.8
[M+CH3COO]- 468.09362 200.7
[M+Na-2H]- 430.05444 184.1
[M]+ 409.07922 190.6
[M]- 409.08032 190.6
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.