CID 3039616

La 1461

Structural Information

Molecular Formula
C18H25N3O2S
SMILES
CC(C)C1=CC=C(C=C1)C2C(=O)N=C(S2)N3CCN(CC3)CCO
InChI
InChI=1S/C18H25N3O2S/c1-13(2)14-3-5-15(6-4-14)16-17(23)19-18(24-16)21-9-7-20(8-10-21)11-12-22/h3-6,13,16,22H,7-12H2,1-2H3
InChIKey
PVNRAFOCTOHPCD-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(4-propan-2-ylphenyl)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.16675 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17403 183.5
[M+Na]+ 370.15597 194.3
[M+NH4]+ 365.20057 190.0
[M+K]+ 386.12991 188.0
[M-H]- 346.15947 186.5
[M+Na-2H]- 368.14142 188.0
[M]+ 347.16620 186.1
[M]- 347.16730 186.1
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.