CID 3086107

79449-97-1

Structural Information

Molecular Formula

C₂₃H₂₆N₄OS

SMILES

CC1=CSC2=NC(=C(C(=O)N12)CCN3CCC(CC3)C4=CNC5=CC=CC=C54)C

InChI

InChI=1S/C23H26N4OS/c1-15-14-29-23-25-16(2)18(22(28)27(15)23)9-12-26-10-7-17(8-11-26)20-13-24-21-6-4-3-5-19(20)21/h3-6,13-14,17,24H,7-12H2,1-2H3

InChIKey

SZNOIYDSLZNPKL-UHFFFAOYSA-N

Compound name

6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-3,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 406.18274 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	407.190016	198.8
[M+Na]+	429.171958	210.3
[M-H]-	405.175464	205.5
[M+NH4]+	424.216563	210.6
[M+K]+	445.145898	201.5
[M+H-H2O]+	389.180000	190.0
[M+HCOO]-	451.180941	210.3
[M+CH3COO]-	465.196591	208.1
[M+Na-2H]-	427.157406	195.7
[M]+	406.18219142	202.4
[M]-	406.18328858	202.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe