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 191.9
[M+Na]+ 423.10972 199.0
[M-H]- 399.11322 199.9
[M+NH4]+ 418.15432 201.9
[M+K]+ 439.08366 194.7
[M+H-H2O]+ 383.11776 181.9
[M+HCOO]- 445.11870 211.1
[M+CH3COO]- 459.13435 223.4
[M+Na-2H]- 421.09517 192.6
[M]+ 400.11995 198.5
[M]- 400.12105 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.