CID 3039481

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

Structural Information

Molecular Formula
C21H30N4O2S
SMILES
CCCC1=NC=C(S1)C(=O)N(C)CCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C21H30N4O2S/c1-4-7-20-22-16-19(28-20)21(26)23(2)10-11-24-12-14-25(15-13-24)17-8-5-6-9-18(17)27-3/h5-6,8-9,16H,4,7,10-15H2,1-3H3
InChIKey
VDHWFKRNDRLXIA-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-2-propyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

402.20895 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21623 196.5
[M+Na]+ 425.19817 206.7
[M+NH4]+ 420.24277 202.6
[M+K]+ 441.17211 200.0
[M-H]- 401.20167 200.6
[M+Na-2H]- 423.18362 202.2
[M]+ 402.20840 199.3
[M]- 402.20950 199.3
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

patents stripe