CID 463829

Chembl2419964

Structural Information

Molecular Formula
C21H25ClN4OS
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C
InChI
InChI=1S/C21H25ClN4OS/c1-15-13-16(2)23-20-19(15)21(27)26(28-20)8-4-7-24-9-11-25(12-10-24)18-6-3-5-17(22)14-18/h3,5-6,13-14H,4,7-12H2,1-2H3
InChIKey
YPNORIQUZGLIEK-UHFFFAOYSA-N
Compound name
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

416.14377 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.15105 200.0
[M+Na]+ 439.13299 210.9
[M-H]- 415.13649 205.7
[M+NH4]+ 434.17759 209.8
[M+K]+ 455.10693 202.1
[M+H-H2O]+ 399.14103 189.7
[M+HCOO]- 461.14197 206.5
[M+CH3COO]- 475.15762 208.7
[M+Na-2H]- 437.11844 197.0
[M]+ 416.14322 204.9
[M]- 416.14432 204.9
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.