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 199.2
[M+Na]+ 410.19695 202.6
[M-H]- 386.20045 207.2
[M+NH4]+ 405.24155 211.8
[M+K]+ 426.17089 198.3
[M+H-H2O]+ 370.20499 189.8
[M+HCOO]- 432.20593 219.7
[M+CH3COO]- 446.22158 234.7
[M+Na-2H]- 408.18240 199.2
[M]+ 387.20718 204.6
[M]- 387.20828 204.6
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

patents stripe