CID 10039403

3-[(4'-cyanobiphenyl-4-yl)oxy]-n-hydroxypropanamide

Structural Information

Molecular Formula
C16H14N2O3
SMILES
C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OCCC(=O)NO
InChI
InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
InChIKey
XZWFHJUEAVOHHG-UHFFFAOYSA-N
Compound name
3-[4-(4-cyanophenyl)phenoxy]-N-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

28
Patents

282.10043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.107706 169.1
[M+Na]+ 305.089648 177.5
[M-H]- 281.093154 173.0
[M+NH4]+ 300.134253 181.9
[M+K]+ 321.063588 172.3
[M+H-H2O]+ 265.097690 154.8
[M+HCOO]- 327.098631 188.2
[M+CH3COO]- 341.114281 209.9
[M+Na-2H]- 303.075096 172.3
[M]+ 282.09988142 164.3
[M]- 282.10097858 164.3
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