CID 59361

2-(n-benzyl-n-(2-diethylaminoethyl)-amino)-6'-chloro-ortho-acetotoluidide

Structural Information

Molecular Formula
C22H30ClN3O
SMILES
CCN(CC)CCN(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C22H30ClN3O/c1-4-25(5-2)14-15-26(16-19-11-7-6-8-12-19)17-21(27)24-22-18(3)10-9-13-20(22)23/h6-13H,4-5,14-17H2,1-3H3,(H,24,27)
InChIKey
IHBUSGGLXXXAML-UHFFFAOYSA-N
Compound name
2-[benzyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

387.20773 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.21501 198.4
[M+Na]+ 410.19695 209.9
[M+NH4]+ 405.24155 205.8
[M+K]+ 426.17089 201.1
[M-H]- 386.20045 204.6
[M+Na-2H]- 408.18240 206.0
[M]+ 387.20718 202.0
[M]- 387.20828 202.0
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.