CID 13004531

2-(5-chloro-o-toluidino)-n-(2-(diethylamino)ethyl)-2-phenylacetamide maleate

Structural Information

Molecular Formula
C21H28ClN3O
SMILES
CCN(CC)CCNC(=O)C(C1=CC=CC=C1)NC2=C(C=CC(=C2)Cl)C
InChI
InChI=1S/C21H28ClN3O/c1-4-25(5-2)14-13-23-21(26)20(17-9-7-6-8-10-17)24-19-15-18(22)12-11-16(19)3/h6-12,15,20,24H,4-5,13-14H2,1-3H3,(H,23,26)
InChIKey
JYRJYMRHWFJRDH-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-methylanilino)-N-[2-(diethylamino)ethyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.19208 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19936 194.3
[M+Na]+ 396.18130 197.7
[M-H]- 372.18480 201.1
[M+NH4]+ 391.22590 206.7
[M+K]+ 412.15524 192.8
[M+H-H2O]+ 356.18934 185.5
[M+HCOO]- 418.19028 213.7
[M+CH3COO]- 432.20593 229.4
[M+Na-2H]- 394.16675 194.5
[M]+ 373.19153 197.5
[M]- 373.19263 197.5
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.