CID 45051463

853333-94-5

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCN(CC)CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C21H28N2O2/c1-4-22(5-2)16-17-23(19-10-8-7-9-11-19)21(24)18-12-14-20(15-13-18)25-6-3/h7-15H,4-6,16-17H2,1-3H3
InChIKey
SPOZUEJJHCFGJP-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-ethoxy-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 186.4
[M+Na]+ 363.20432 189.2
[M-H]- 339.20782 194.5
[M+NH4]+ 358.24892 200.0
[M+K]+ 379.17826 187.5
[M+H-H2O]+ 323.21236 176.4
[M+HCOO]- 385.21330 210.9
[M+CH3COO]- 399.22895 224.1
[M+Na-2H]- 361.18977 187.9
[M]+ 340.21455 190.7
[M]- 340.21565 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.