CID 121876

111525-11-2

Structural Information

Molecular Formula
C17H19NO3
SMILES
CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)N(C(=O)C)O
InChI
InChI=1S/C17H19NO3/c1-13(18(20)14(2)19)16-8-10-17(11-9-16)21-12-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3
InChIKey
FSUFUKQWXOFBDQ-UHFFFAOYSA-N
Compound name
N-hydroxy-N-[1-(4-phenylmethoxyphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

6
Patents

285.1365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.143776 167.0
[M+Na]+ 308.125718 171.6
[M-H]- 284.129224 173.3
[M+NH4]+ 303.170323 181.8
[M+K]+ 324.099658 169.7
[M+H-H2O]+ 268.133760 158.7
[M+HCOO]- 330.134701 189.2
[M+CH3COO]- 344.150351 204.3
[M+Na-2H]- 306.111166 169.5
[M]+ 285.13595142 168.4
[M]- 285.13704858 168.4
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