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 195.4
[M+Na]+ 426.13927 203.7
[M-H]- 402.14277 200.6
[M+NH4]+ 421.18387 204.2
[M+K]+ 442.11321 195.7
[M+H-H2O]+ 386.14731 187.6
[M+HCOO]- 448.14825 197.6
[M+CH3COO]- 462.16390 202.5
[M+Na-2H]- 424.12472 184.9
[M]+ 403.14950 191.9
[M]- 403.15060 191.9
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.