CID 463823

Akos001885360

Structural Information

Molecular Formula
C20H22N4O2S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2)CC(=O)N3CCN(CC3)C4=CC=CC=C4)C
InChI
InChI=1S/C20H22N4O2S/c1-14-12-15(2)21-19-18(14)20(26)24(27-19)13-17(25)23-10-8-22(9-11-23)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3
InChIKey
QMHIAYPNTCFYLC-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.14636 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15364 191.7
[M+Na]+ 405.13558 201.4
[M-H]- 381.13908 197.7
[M+NH4]+ 400.18018 201.6
[M+K]+ 421.10952 194.4
[M+H-H2O]+ 365.14362 181.6
[M+HCOO]- 427.14456 202.7
[M+CH3COO]- 441.16021 200.8
[M+Na-2H]- 403.12103 189.7
[M]+ 382.14581 194.1
[M]- 382.14691 194.1
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.