CID 3039477

5-thiazolecarboxamide, n-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2-propyl-, monohydrochloride

Structural Information

Molecular Formula
C20H28N4O2S
SMILES
CCCC1=NC=C(S1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C20H28N4O2S/c1-3-6-19-22-15-18(27-19)20(25)21-9-10-23-11-13-24(14-12-23)16-7-4-5-8-17(16)26-2/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,21,25)
InChIKey
MFBHGHCFKRZBIF-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-propyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

388.1933 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20058 193.1
[M+Na]+ 411.18252 197.4
[M-H]- 387.18602 198.0
[M+NH4]+ 406.22712 202.3
[M+K]+ 427.15646 192.1
[M+H-H2O]+ 371.19056 182.6
[M+HCOO]- 433.19150 205.2
[M+CH3COO]- 447.20715 220.0
[M+Na-2H]- 409.16797 189.9
[M]+ 388.19275 194.0
[M]- 388.19385 194.0
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

patents stripe