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 194.4
[M+Na]+ 409.20324 198.5
[M-H]- 385.20674 199.1
[M+NH4]+ 404.24784 203.8
[M+K]+ 425.17718 192.3
[M+H-H2O]+ 369.21128 183.8
[M+HCOO]- 431.21222 205.9
[M+CH3COO]- 445.22787 220.9
[M+Na-2H]- 407.18869 190.4
[M]+ 386.21347 194.3
[M]- 386.21457 194.3
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.