CID 3062871

99304-19-5

Structural Information

Molecular Formula
C18H23N5OS2
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CC3C(=O)N(C(=S)S3)C4=NCCN4
InChI
InChI=1S/C18H23N5OS2/c1-13-2-4-14(5-3-13)22-10-8-21(9-11-22)12-15-16(24)23(18(25)26-15)17-19-6-7-20-17/h2-5,15H,6-12H2,1H3,(H,19,20)
InChIKey
SBTPWTDUGRIZMP-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1H-imidazol-2-yl)-5-[[4-(4-methylphenyl)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

389.1344 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14168 190.8
[M+Na]+ 412.12362 198.8
[M-H]- 388.12712 195.8
[M+NH4]+ 407.16822 199.9
[M+K]+ 428.09756 191.1
[M+H-H2O]+ 372.13166 182.9
[M+HCOO]- 434.13260 193.4
[M+CH3COO]- 448.14825 198.1
[M+Na-2H]- 410.10907 181.4
[M]+ 389.13385 186.6
[M]- 389.13495 186.6
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.