CID 3087901

Urea, n-(5-(4-ethoxy-3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl)-n'-phenyl-

Structural Information

Molecular Formula
C19H20N4O4S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN=C(S2)NC(=O)NC3=CC=CC=C3)OC
InChI
InChI=1S/C19H20N4O4S/c1-4-27-16-14(25-2)10-12(11-15(16)26-3)17-22-23-19(28-17)21-18(24)20-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H2,20,21,23,24)
InChIKey
SDXNIHNQDFJFFK-UHFFFAOYSA-N
Compound name
1-[5-(4-ethoxy-3,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12778 193.4
[M+Na]+ 423.10972 204.8
[M+NH4]+ 418.15432 198.9
[M+K]+ 439.08366 198.8
[M-H]- 399.11322 198.0
[M+Na-2H]- 421.09517 200.8
[M]+ 400.11995 196.5
[M]- 400.12105 196.5
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.