CID 3062875

99304-21-9

Structural Information

Molecular Formula
C17H21N5OS2
SMILES
C1CN=C(N1)N2C(=O)C(SC2=S)CN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C17H21N5OS2/c23-15-14(25-17(24)22(15)16-18-6-7-19-16)12-20-8-10-21(11-9-20)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,18,19)
InChIKey
LIFFVLJRLLEJKP-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-yl)-5-[(4-phenylpiperazin-1-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.11874 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12602 183.3
[M+Na]+ 398.10796 193.6
[M+NH4]+ 393.15256 189.9
[M+K]+ 414.08190 187.1
[M-H]- 374.11146 187.0
[M+Na-2H]- 396.09341 187.8
[M]+ 375.11819 186.4
[M]- 375.11929 186.4
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.