CID 23653533

4-(2-aminoethoxy)-n-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide

Structural Information

Molecular Formula
C24H32ClN3O3
SMILES
CCOC1=C(C=C(C=C1Cl)N2CCCCC2)NC(=O)C3=CC(=C(C(=C3)C)OCCN)C
InChI
InChI=1S/C24H32ClN3O3/c1-4-30-23-20(25)14-19(28-9-6-5-7-10-28)15-21(23)27-24(29)18-12-16(2)22(17(3)13-18)31-11-8-26/h12-15H,4-11,26H2,1-3H3,(H,27,29)
InChIKey
CKBBGCJYKCLKHE-UHFFFAOYSA-N
Compound name
4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

445.21323 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.22051 211.2
[M+Na]+ 468.20245 215.7
[M-H]- 444.20595 218.1
[M+NH4]+ 463.24705 219.1
[M+K]+ 484.17639 209.7
[M+H-H2O]+ 428.21049 200.9
[M+HCOO]- 490.21143 224.3
[M+CH3COO]- 504.22708 237.5
[M+Na-2H]- 466.18790 207.6
[M]+ 445.21268 212.6
[M]- 445.21378 212.6
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