CID 3039607

La 1344

Structural Information

Molecular Formula
C16H21N3O2S
SMILES
CC(CN1CCN(CC1)C2=NC(=O)C(S2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H21N3O2S/c1-12(20)11-18-7-9-19(10-8-18)16-17-15(21)14(22-16)13-5-3-2-4-6-13/h2-6,12,14,20H,7-11H2,1H3
InChIKey
KSCYOCCKIYUJHK-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxypropyl)piperazin-1-yl]-5-phenyl-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.13544 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14272 175.1
[M+Na]+ 342.12466 180.8
[M-H]- 318.12816 179.1
[M+NH4]+ 337.16926 186.8
[M+K]+ 358.09860 175.8
[M+H-H2O]+ 302.13270 166.1
[M+HCOO]- 364.13364 184.6
[M+CH3COO]- 378.14929 183.8
[M+Na-2H]- 340.11011 171.4
[M]+ 319.13489 172.3
[M]- 319.13599 172.3
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.