CID 198574

Rpu8gv26qr

Structural Information

Molecular Formula
C17H22N4OS2
SMILES
CC1=C(SC(=N1)SC)C(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C17H22N4OS2/c1-13-16(24-17(19-13)23-2)14(22)6-8-20-9-11-21(12-10-20)15-5-3-4-7-18-15/h3-5,7H,6,8-12H2,1-2H3
InChIKey
KINMFTWEKMAEJD-UHFFFAOYSA-N
Compound name
1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1235 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13078 180.7
[M+Na]+ 385.11272 192.6
[M+NH4]+ 380.15732 187.9
[M+K]+ 401.08666 183.7
[M-H]- 361.11622 184.3
[M+Na-2H]- 383.09817 186.4
[M]+ 362.12295 184.3
[M]- 362.12405 184.3
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.