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 181.0
[M-H]- 315.12697 183.4
[M+NH4]+ 334.16807 191.2
[M+K]+ 355.09741 176.5
[M+H-H2O]+ 299.13151 168.2
[M+HCOO]- 361.13245 195.7
[M+CH3COO]- 375.14810 214.2
[M+Na-2H]- 337.10892 178.4
[M]+ 316.13370 178.7
[M]- 316.13480 178.7
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.