CID 463840

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,6-dimethyl-isothiazolo[5,4-b]pyridin-3-one

Structural Information

Molecular Formula
C20H24N4O2S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)CN3CCN(CC3)C4=CC=CC=C4OC)C
InChI
InChI=1S/C20H24N4O2S/c1-14-12-15(2)21-19-18(14)20(25)24(27-19)13-22-8-10-23(11-9-22)16-6-4-5-7-17(16)26-3/h4-7,12H,8-11,13H2,1-3H3
InChIKey
FSZUDXNCBZRHFP-UHFFFAOYSA-N
Compound name
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.162 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16928 193.0
[M+Na]+ 407.15122 203.6
[M-H]- 383.15472 199.2
[M+NH4]+ 402.19582 203.2
[M+K]+ 423.12516 196.6
[M+H-H2O]+ 367.15926 182.8
[M+HCOO]- 429.16020 204.8
[M+CH3COO]- 443.17585 202.4
[M+Na-2H]- 405.13667 191.2
[M]+ 384.16145 197.1
[M]- 384.16255 197.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.