CID 3074050

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

Structural Information

Molecular Formula
C20H29N5O4S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN=C(S2)NC(=O)CCN3CCN(CC3)C)OC
InChI
InChI=1S/C20H29N5O4S/c1-5-29-18-15(27-3)12-14(13-16(18)28-4)19-22-23-20(30-19)21-17(26)6-7-25-10-8-24(2)9-11-25/h12-13H,5-11H2,1-4H3,(H,21,23,26)
InChIKey
FRBVYZIZYXGZQM-UHFFFAOYSA-N
Compound name
N-[5-(4-ethoxy-3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.19403 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.20131 203.0
[M+Na]+ 458.18325 208.4
[M-H]- 434.18675 207.4
[M+NH4]+ 453.22785 209.3
[M+K]+ 474.15719 204.1
[M+H-H2O]+ 418.19129 192.3
[M+HCOO]- 480.19223 214.1
[M+CH3COO]- 494.20788 229.6
[M+Na-2H]- 456.16870 199.0
[M]+ 435.19348 208.0
[M]- 435.19458 208.0
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.