CID 3062867

99304-17-3

Structural Information

Molecular Formula
C19H25N5OS2
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)CC3C(=O)N(C(=S)S3)C4=NCCN4)C
InChI
InChI=1S/C19H25N5OS2/c1-13-3-4-15(11-14(13)2)23-9-7-22(8-10-23)12-16-17(25)24(19(26)27-16)18-20-5-6-21-18/h3-4,11,16H,5-10,12H2,1-2H3,(H,20,21)
InChIKey
BCRYFOGTMBAQBZ-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-yl)-5-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.15005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.15733 193.7
[M+Na]+ 426.13927 204.3
[M+NH4]+ 421.18387 200.0
[M+K]+ 442.11321 197.7
[M-H]- 402.14277 197.5
[M+Na-2H]- 424.12472 197.2
[M]+ 403.14950 196.9
[M]- 403.15060 196.9
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.