CID 3074048

1-piperidinepropanamide, n-(5-(3,5-dimethoxy-4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl)-, monohydrochloride

Structural Information

Molecular Formula
C20H28N4O4S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN=C(S2)NC(=O)CCN3CCCCC3)OC
InChI
InChI=1S/C20H28N4O4S/c1-4-28-18-15(26-2)12-14(13-16(18)27-3)19-22-23-20(29-19)21-17(25)8-11-24-9-6-5-7-10-24/h12-13H,4-11H2,1-3H3,(H,21,23,25)
InChIKey
YGJYDMKCMWBKRU-UHFFFAOYSA-N
Compound name
N-[5-(4-ethoxy-3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.18314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.19042 198.8
[M+Na]+ 443.17236 203.3
[M-H]- 419.17586 204.1
[M+NH4]+ 438.21696 206.7
[M+K]+ 459.14630 199.3
[M+H-H2O]+ 403.18040 188.4
[M+HCOO]- 465.18134 211.3
[M+CH3COO]- 479.19699 225.5
[M+Na-2H]- 441.15781 195.5
[M]+ 420.18259 202.9
[M]- 420.18369 202.9
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.