CID 55166

83850-78-6

Structural Information

Molecular Formula
C18H22ClN3O
SMILES
CN(C)CCNC(=O)C(C1=CC=CC=C1)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H22ClN3O/c1-22(2)13-12-20-18(23)17(14-6-4-3-5-7-14)21-16-10-8-15(19)9-11-16/h3-11,17,21H,12-13H2,1-2H3,(H,20,23)
InChIKey
WUDVMOAOYVMPNR-UHFFFAOYSA-N
Compound name
2-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.14514 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15242 180.3
[M+Na]+ 354.13436 184.1
[M-H]- 330.13786 187.4
[M+NH4]+ 349.17896 194.2
[M+K]+ 370.10830 179.8
[M+H-H2O]+ 314.14240 171.9
[M+HCOO]- 376.14334 200.7
[M+CH3COO]- 390.15899 219.3
[M+Na-2H]- 352.11981 182.8
[M]+ 331.14459 182.1
[M]- 331.14569 182.1
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.