CID 17076

N,n-diethyl-2-phenylacetamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CCN(CC)C(=O)CC1=CC=CC=C1
InChI
InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey
UXDAWVUDZLBBAM-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

44
References

2105
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 144.6
[M+Na]+ 214.120228 150.1
[M-H]- 190.123734 149.2
[M+NH4]+ 209.164833 164.4
[M+K]+ 230.094168 149.2
[M+H-H2O]+ 174.128270 137.9
[M+HCOO]- 236.129211 169.1
[M+CH3COO]- 250.144861 190.1
[M+Na-2H]- 212.105676 149.4
[M]+ 191.13046142 146.1
[M]- 191.13155858 146.1
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