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 199.1
[M+Na]+ 444.16760 204.9
[M-H]- 420.17110 203.6
[M+NH4]+ 439.21220 205.9
[M+K]+ 460.14154 200.8
[M+H-H2O]+ 404.17564 188.5
[M+HCOO]- 466.17658 210.5
[M+CH3COO]- 480.19223 226.7
[M+Na-2H]- 442.15305 195.4
[M]+ 421.17783 203.7
[M]- 421.17893 203.7
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.