CID 3062877

99304-22-0

Structural Information

Molecular Formula
C19H22N4O2S2
SMILES
C1CN(CCC1C(=O)C2=CC=CC=C2)CC3C(=O)N(C(=S)S3)C4=NCCN4
InChI
InChI=1S/C19H22N4O2S2/c24-16(13-4-2-1-3-5-13)14-6-10-22(11-7-14)12-15-17(25)23(19(26)27-15)18-20-8-9-21-18/h1-5,14-15H,6-12H2,(H,20,21)
InChIKey
HSDSMFSUSFUFJW-UHFFFAOYSA-N
Compound name
5-[(4-benzoylpiperidin-1-yl)methyl]-3-(4,5-dihydro-1H-imidazol-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1184 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12568 193.6
[M+Na]+ 425.10762 199.7
[M-H]- 401.11112 199.4
[M+NH4]+ 420.15222 202.8
[M+K]+ 441.08156 192.7
[M+H-H2O]+ 385.11566 186.0
[M+HCOO]- 447.11660 196.3
[M+CH3COO]- 461.13225 200.5
[M+Na-2H]- 423.09307 184.3
[M]+ 402.11785 189.0
[M]- 402.11895 189.0
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.