CID 3087897

116758-62-4

Structural Information

Molecular Formula
C14H17N3O4S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN=C(S2)NC(=O)C)OC
InChI
InChI=1S/C14H17N3O4S/c1-5-21-12-10(19-3)6-9(7-11(12)20-4)13-16-17-14(22-13)15-8(2)18/h6-7H,5H2,1-4H3,(H,15,17,18)
InChIKey
PMQLQSBNIJQMIV-UHFFFAOYSA-N
Compound name
N-[5-(4-ethoxy-3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.09396 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.101236 172.4
[M+Na]+ 346.083178 181.4
[M-H]- 322.086684 177.7
[M+NH4]+ 341.127783 186.5
[M+K]+ 362.057118 178.6
[M+H-H2O]+ 306.091220 164.2
[M+HCOO]- 368.092161 190.9
[M+CH3COO]- 382.107811 208.1
[M+Na-2H]- 344.068626 172.0
[M]+ 323.09341142 180.7
[M]- 323.09450858 180.7
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.