CID 70578

N,n-dimethyl-2,2-diphenoxyacetamide

Structural Information

Molecular Formula
C16H17NO3
SMILES
CN(C)C(=O)C(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C16H17NO3/c1-17(2)15(18)16(19-13-9-5-3-6-10-13)20-14-11-7-4-8-12-14/h3-12,16H,1-2H3
InChIKey
VAJOAIANUZSWJO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2,2-diphenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.12085 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.128126 162.6
[M+Na]+ 294.110068 167.1
[M-H]- 270.113574 170.1
[M+NH4]+ 289.154673 178.3
[M+K]+ 310.084008 166.2
[M+H-H2O]+ 254.118110 154.0
[M+HCOO]- 316.119051 186.6
[M+CH3COO]- 330.134701 202.7
[M+Na-2H]- 292.095516 166.7
[M]+ 271.12030142 165.1
[M]- 271.12139858 165.1
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