CID 23653532

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

Structural Information

Molecular Formula
C22H28ClN3O2
SMILES
CC1=CC(=CC(=C1OCCN)C)C(=O)NC2=CC(=CC(=C2)Cl)N3CCCCC3
InChI
InChI=1S/C22H28ClN3O2/c1-15-10-17(11-16(2)21(15)28-9-6-24)22(27)25-19-12-18(23)13-20(14-19)26-7-4-3-5-8-26/h10-14H,3-9,24H2,1-2H3,(H,25,27)
InChIKey
JDYIYIRPQKMWMM-UHFFFAOYSA-N
Compound name
4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

401.187 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19428 199.5
[M+Na]+ 424.17622 204.3
[M-H]- 400.17972 206.4
[M+NH4]+ 419.22082 209.0
[M+K]+ 440.15016 197.8
[M+H-H2O]+ 384.18426 189.5
[M+HCOO]- 446.18520 213.2
[M+CH3COO]- 460.20085 228.1
[M+Na-2H]- 422.16167 197.5
[M]+ 401.18645 198.4
[M]- 401.18755 198.4
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