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 197.8
[M+Na]+ 425.19817 201.8
[M-H]- 401.20167 204.0
[M+NH4]+ 420.24277 207.1
[M+K]+ 441.17211 197.6
[M+H-H2O]+ 385.20621 187.0
[M+HCOO]- 447.20715 210.0
[M+CH3COO]- 461.22280 226.2
[M+Na-2H]- 423.18362 193.4
[M]+ 402.20840 200.3
[M]- 402.20950 200.3
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