CID 209467

Brn 3013993

Structural Information

Molecular Formula
C18H18N4O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H18N4O5/c1-24-13-9-11(10-14(25-2)15(13)26-3)16-21-22-18(27-16)20-17(23)19-12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,19,20,22,23)
InChIKey
WRDRHNKMVNSPLV-UHFFFAOYSA-N
Compound name
1-phenyl-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.12772 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13500 184.6
[M+Na]+ 393.11694 191.8
[M-H]- 369.12044 193.5
[M+NH4]+ 388.16154 193.7
[M+K]+ 409.09088 190.3
[M+H-H2O]+ 353.12498 173.9
[M+HCOO]- 415.12592 208.3
[M+CH3COO]- 429.14157 219.6
[M+Na-2H]- 391.10239 188.3
[M]+ 370.12717 190.5
[M]- 370.12827 190.5
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.