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 188.5
[M+Na]+ 412.12362 198.9
[M+NH4]+ 407.16822 194.9
[M+K]+ 428.09756 192.4
[M-H]- 388.12712 192.2
[M+Na-2H]- 410.10907 192.5
[M]+ 389.13385 191.6
[M]- 389.13495 191.6
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.