CID 3074052

154663-36-2

Structural Information

Molecular Formula
C19H28N4O4S
SMILES
CCN(CC)CCC(=O)NC1=NN=C(S1)C2=CC(=C(C(=C2)OC)OCC)OC
InChI
InChI=1S/C19H28N4O4S/c1-6-23(7-2)10-9-16(24)20-19-22-21-18(28-19)13-11-14(25-4)17(27-8-3)15(12-13)26-5/h11-12H,6-10H2,1-5H3,(H,20,22,24)
InChIKey
XTDHUSQEIAVLSK-UHFFFAOYSA-N
Compound name
3-(diethylamino)-N-[5-(4-ethoxy-3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.18314 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.19042 197.6
[M+Na]+ 431.17236 203.3
[M-H]- 407.17586 203.3
[M+NH4]+ 426.21696 208.3
[M+K]+ 447.14630 200.9
[M+H-H2O]+ 391.18040 187.8
[M+HCOO]- 453.18134 215.8
[M+CH3COO]- 467.19699 231.1
[M+Na-2H]- 429.15781 195.1
[M]+ 408.18259 208.0
[M]- 408.18369 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.