CID 3045141

Maleate de n-butyl-5 thiazole-2 n-(o-methylphenyl-4' piperazino)ethyl carboxamide [french]

Structural Information

Molecular Formula
C21H30N4OS
SMILES
CCCCC1=CN=C(S1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3C
InChI
InChI=1S/C21H30N4OS/c1-3-4-8-18-16-23-21(27-18)20(26)22-10-11-24-12-14-25(15-13-24)19-9-6-5-7-17(19)2/h5-7,9,16H,3-4,8,10-15H2,1-2H3,(H,22,26)
InChIKey
WNUMOKJXVPOSCM-UHFFFAOYSA-N
Compound name
5-butyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.21402 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.22130 194.3
[M+Na]+ 409.20324 204.9
[M+NH4]+ 404.24784 200.8
[M+K]+ 425.17718 197.1
[M-H]- 385.20674 198.6
[M+Na-2H]- 407.18869 200.1
[M]+ 386.21347 197.3
[M]- 386.21457 197.3
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.