CID 53876

77966-32-6

Structural Information

Molecular Formula
C20H25ClN2O
SMILES
CCN(CC)CC(=O)N(CC1=CC=CC=C1)C2=C(C=CC=C2Cl)C
InChI
InChI=1S/C20H25ClN2O/c1-4-22(5-2)15-19(24)23(14-17-11-7-6-8-12-17)20-16(3)10-9-13-18(20)21/h6-13H,4-5,14-15H2,1-3H3
InChIKey
HLQYYPLLCJBQQT-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-chloro-6-methylphenyl)-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16553 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.172806 185.5
[M+Na]+ 367.154748 190.7
[M-H]- 343.158254 194.1
[M+NH4]+ 362.199353 200.3
[M+K]+ 383.128688 186.7
[M+H-H2O]+ 327.162790 176.9
[M+HCOO]- 389.163731 205.7
[M+CH3COO]- 403.179381 223.8
[M+Na-2H]- 365.140196 186.2
[M]+ 344.16498142 190.9
[M]- 344.16607858 190.9
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.