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 186.1
[M+Na]+ 398.10796 193.8
[M-H]- 374.11146 191.0
[M+NH4]+ 393.15256 195.5
[M+K]+ 414.08190 186.4
[M+H-H2O]+ 358.11600 178.0
[M+HCOO]- 420.11694 189.1
[M+CH3COO]- 434.13259 193.5
[M+Na-2H]- 396.09341 177.8
[M]+ 375.11819 181.2
[M]- 375.11929 181.2
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.