CID 3045139

2-thiazolecarboxamide, 5-butyl-n-(4-(2-(methoxyphenyl)-1-piperazinyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C21H30N4O2S
SMILES
CCCCC1=CN=C(S1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C21H30N4O2S/c1-3-4-7-17-16-23-21(28-17)20(26)22-10-11-24-12-14-25(15-13-24)18-8-5-6-9-19(18)27-2/h5-6,8-9,16H,3-4,7,10-15H2,1-2H3,(H,22,26)
InChIKey
FHOFUKKECGVEAF-UHFFFAOYSA-N
Compound name
5-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.20895 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21623 197.1
[M+Na]+ 425.19817 201.0
[M-H]- 401.20167 201.9
[M+NH4]+ 420.24277 205.8
[M+K]+ 441.17211 195.4
[M+H-H2O]+ 385.20621 186.5
[M+HCOO]- 447.20715 208.9
[M+CH3COO]- 461.22280 222.9
[M+Na-2H]- 423.18362 193.5
[M]+ 402.20840 198.4
[M]- 402.20950 198.4
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

No patent data available for this compound.