CID 3087899

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

Structural Information

Molecular Formula
C19H20N4O5
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN=C(O2)NC(=O)NC3=CC=CC=C3)OC
InChI
InChI=1S/C19H20N4O5/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
PIWDSBPFFWWOAU-UHFFFAOYSA-N
Compound name
1-[5-(4-ethoxy-3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.14337 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15065 189.1
[M+Na]+ 407.13259 195.8
[M-H]- 383.13609 197.8
[M+NH4]+ 402.17719 197.5
[M+K]+ 423.10653 194.1
[M+H-H2O]+ 367.14063 178.1
[M+HCOO]- 429.14157 212.4
[M+CH3COO]- 443.15722 222.5
[M+Na-2H]- 405.11804 192.3
[M]+ 384.14282 195.3
[M]- 384.14392 195.3
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.