CID 231459

N,n-diethyl-para-anisamide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C12H17NO2/c1-4-13(5-2)12(14)10-6-8-11(15-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKey
HCJXEOFLVIFFDG-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

207.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.0
[M+Na]+ 230.11515 153.5
[M-H]- 206.11865 152.0
[M+NH4]+ 225.15975 166.5
[M+K]+ 246.08909 153.1
[M+H-H2O]+ 190.12319 140.4
[M+HCOO]- 252.12413 171.9
[M+CH3COO]- 266.13978 193.2
[M+Na-2H]- 228.10060 151.2
[M]+ 207.12538 150.4
[M]- 207.12648 150.4
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