CID 23653531

4-(2-aminoethoxy)-n-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide

Structural Information

Molecular Formula
C21H28N2O4
SMILES
CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=CC(=C(C(=C2)C)OCCN)C
InChI
InChI=1S/C21H28N2O4/c1-5-25-17-7-8-19(26-6-2)18(13-17)23-21(24)16-11-14(3)20(15(4)12-16)27-10-9-22/h7-8,11-13H,5-6,9-10,22H2,1-4H3,(H,23,24)
InChIKey
PHTPPZCTHZHCQD-UHFFFAOYSA-N
Compound name
4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

372.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21218 191.9
[M+Na]+ 395.19412 197.8
[M-H]- 371.19762 198.2
[M+NH4]+ 390.23872 203.7
[M+K]+ 411.16806 194.7
[M+H-H2O]+ 355.20216 182.6
[M+HCOO]- 417.20310 215.2
[M+CH3COO]- 431.21875 226.3
[M+Na-2H]- 393.17957 191.2
[M]+ 372.20435 197.2
[M]- 372.20545 197.2
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