CID 3062863

99304-15-1

Structural Information

Molecular Formula
C18H22N4O2S2
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CC3C(=O)N(C(=S)S3)C4=NCCN4
InChI
InChI=1S/C18H22N4O2S2/c23-15-14(26-17(25)22(15)16-19-8-9-20-16)12-21-10-6-18(24,7-11-21)13-4-2-1-3-5-13/h1-5,14,24H,6-12H2,(H,19,20)
InChIKey
LUSGVIHZPZGGSR-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-yl)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1184 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12568 185.9
[M+Na]+ 413.10762 195.2
[M+NH4]+ 408.15222 193.6
[M+K]+ 429.08156 187.5
[M-H]- 389.11112 189.2
[M+Na-2H]- 411.09307 191.5
[M]+ 390.11785 188.9
[M]- 390.11895 188.9
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.