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]+ 345.17281 185.5
[M+Na]+ 367.15475 190.7
[M-H]- 343.15825 194.1
[M+NH4]+ 362.19935 200.3
[M+K]+ 383.12869 186.7
[M+H-H2O]+ 327.16279 176.9
[M+HCOO]- 389.16373 205.7
[M+CH3COO]- 403.17938 223.8
[M+Na-2H]- 365.14020 186.2
[M]+ 344.16498 190.9
[M]- 344.16608 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.