CID 5326979

N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)oxy]ethyl}-n'-hydroxy-n-methylurea

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CN(CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)C(=O)NO
InChI
InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)
InChIKey
GVMUNGGWXRKCEU-UHFFFAOYSA-N
Compound name
1-[2-[4-(4-cyanophenyl)phenoxy]ethyl]-3-hydroxy-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

311.12698 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 177.8
[M+Na]+ 334.11620 184.9
[M-H]- 310.11970 182.7
[M+NH4]+ 329.16080 189.7
[M+K]+ 350.09014 181.1
[M+H-H2O]+ 294.12424 162.7
[M+HCOO]- 356.12518 197.8
[M+CH3COO]- 370.14083 219.6
[M+Na-2H]- 332.10165 180.0
[M]+ 311.12643 173.6
[M]- 311.12753 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe