CID 211484

N-(diethylaminoethyl)-2-benzyloxy-4-amino-5-chlorobenzamide

Structural Information

Molecular Formula
C20H26ClN3O2
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC2=CC=CC=C2)N)Cl
InChI
InChI=1S/C20H26ClN3O2/c1-3-24(4-2)11-10-23-20(25)16-12-17(21)18(22)13-19(16)26-14-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11,14,22H2,1-2H3,(H,23,25)
InChIKey
RNDGARWUQSIOQW-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-phenylmethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

375.17136 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17864 192.8
[M+Na]+ 398.16058 197.8
[M-H]- 374.16408 199.7
[M+NH4]+ 393.20518 205.3
[M+K]+ 414.13452 193.0
[M+H-H2O]+ 358.16862 184.1
[M+HCOO]- 420.16956 213.2
[M+CH3COO]- 434.18521 228.3
[M+Na-2H]- 396.14603 193.1
[M]+ 375.17081 197.1
[M]- 375.17191 197.1
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