CID 3039587

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

Structural Information

Molecular Formula
C19H26N4O2S
SMILES
CCC1=NC=C(S1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C19H26N4O2S/c1-3-18-21-14-17(26-18)19(24)20-8-9-22-10-12-23(13-11-22)15-6-4-5-7-16(15)25-2/h4-7,14H,3,8-13H2,1-2H3,(H,20,24)
InChIKey
XUCNDPRXRUJPBT-UHFFFAOYSA-N
Compound name
2-ethyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.17764 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18492 189.0
[M+Na]+ 397.16686 193.8
[M-H]- 373.17036 194.2
[M+NH4]+ 392.21146 198.9
[M+K]+ 413.14080 188.7
[M+H-H2O]+ 357.17490 178.7
[M+HCOO]- 419.17584 201.5
[M+CH3COO]- 433.19149 217.1
[M+Na-2H]- 395.15231 186.2
[M]+ 374.17709 189.6
[M]- 374.17819 189.6
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