CID 59596

102585-44-4

Structural Information

Molecular Formula
C18H21ClN2O
SMILES
CN(C)CCNC(=O)C(C1=CC=CC=C1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C18H21ClN2O/c1-21(2)12-11-20-18(22)17(14-7-4-3-5-8-14)15-9-6-10-16(19)13-15/h3-10,13,17H,11-12H2,1-2H3,(H,20,22)
InChIKey
TWXIHSIUMYSRKR-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13425 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14153 176.2
[M+Na]+ 339.12347 189.1
[M+NH4]+ 334.16807 184.6
[M+K]+ 355.09741 180.9
[M-H]- 315.12697 181.9
[M+Na-2H]- 337.10892 184.9
[M]+ 316.13370 179.9
[M]- 316.13480 179.9
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.