CID 2588655

81263-72-1

Structural Information

Molecular Formula
C16H17N3O3
SMILES
COC1=C(C=CC(=C1)C=NNC(=O)N)OCC2=CC=CC=C2
InChI
InChI=1S/C16H17N3O3/c1-21-15-9-13(10-18-19-16(17)20)7-8-14(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H3,17,19,20)
InChIKey
AUNGYZXTMLWWPP-UHFFFAOYSA-N
Compound name
[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12698 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 170.3
[M+Na]+ 322.11620 181.2
[M+NH4]+ 317.16080 176.8
[M+K]+ 338.09014 174.7
[M-H]- 298.11970 175.2
[M+Na-2H]- 320.10165 178.1
[M]+ 299.12643 172.9
[M]- 299.12753 172.9
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.