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]+ 401.127776 191.9
[M+Na]+ 423.109718 199.0
[M-H]- 399.113224 199.9
[M+NH4]+ 418.154323 201.9
[M+K]+ 439.083658 194.7
[M+H-H2O]+ 383.117760 181.9
[M+HCOO]- 445.118701 211.1
[M+CH3COO]- 459.134351 223.4
[M+Na-2H]- 421.095166 192.6
[M]+ 400.11995142 198.5
[M]- 400.12104858 198.5
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.