CID 3066119

109523-96-8

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
CCN(CC)CC(=O)OCC1=CC=C(C=C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C19H22ClNO2/c1-3-21(4-2)13-19(22)23-14-15-9-11-16(12-10-15)17-7-5-6-8-18(17)20/h5-12H,3-4,13-14H2,1-2H3
InChIKey
DVZGGZDMMSMRET-UHFFFAOYSA-N
Compound name
[4-(2-chlorophenyl)phenyl]methyl 2-(diethylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

331.1339 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.141176 179.2
[M+Na]+ 354.123118 185.6
[M-H]- 330.126624 186.6
[M+NH4]+ 349.167723 194.2
[M+K]+ 370.097058 181.0
[M+H-H2O]+ 314.131160 171.2
[M+HCOO]- 376.132101 198.5
[M+CH3COO]- 390.147751 214.6
[M+Na-2H]- 352.108566 181.0
[M]+ 331.13335142 185.1
[M]- 331.13444858 185.1
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.