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]+ 324.10124 172.4
[M+Na]+ 346.08318 181.4
[M-H]- 322.08668 177.7
[M+NH4]+ 341.12778 186.5
[M+K]+ 362.05712 178.6
[M+H-H2O]+ 306.09122 164.2
[M+HCOO]- 368.09216 190.9
[M+CH3COO]- 382.10781 208.1
[M+Na-2H]- 344.06863 172.0
[M]+ 323.09341 180.7
[M]- 323.09451 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.