CID 198248

42605-17-4

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1)Cl)CC2=CC=CC=C2
InChI
InChI=1S/C19H23ClN2O/c1-3-22(4-2)14-19(23)21-18-11-10-17(20)13-16(18)12-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)
InChIKey
SCLSATWHFHMVTM-UHFFFAOYSA-N
Compound name
N-(2-benzyl-4-chlorophenyl)-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1499 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.157176 180.9
[M+Na]+ 353.139118 186.4
[M-H]- 329.142624 188.1
[M+NH4]+ 348.183723 195.6
[M+K]+ 369.113058 181.2
[M+H-H2O]+ 313.147160 172.7
[M+HCOO]- 375.148101 200.9
[M+CH3COO]- 389.163751 217.5
[M+Na-2H]- 351.124566 182.9
[M]+ 330.14935142 184.7
[M]- 330.15044858 184.7
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.