CID 3074032

1-piperazineacetamide, n-(5-(3,5-dimethoxy-4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl)-4-methyl-, trihydrochloride

Structural Information

Molecular Formula
C19H27N5O4S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN=C(S2)NC(=O)CN3CCN(CC3)C)OC
InChI
InChI=1S/C19H27N5O4S/c1-5-28-17-14(26-3)10-13(11-15(17)27-4)18-21-22-19(29-18)20-16(25)12-24-8-6-23(2)7-9-24/h10-11H,5-9,12H2,1-4H3,(H,20,22,25)
InChIKey
RYNSQGVRXZIXLL-UHFFFAOYSA-N
Compound name
N-[5-(4-ethoxy-3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.17838 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18566 199.9
[M+Na]+ 444.16760 209.8
[M+NH4]+ 439.21220 204.1
[M+K]+ 460.14154 204.9
[M-H]- 420.17110 202.1
[M+Na-2H]- 442.15305 203.9
[M]+ 421.17783 202.0
[M]- 421.17893 202.0
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.