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

5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.