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

2
Patents

331.1339 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14118 179.2
[M+Na]+ 354.12312 185.6
[M-H]- 330.12662 186.6
[M+NH4]+ 349.16772 194.2
[M+K]+ 370.09706 181.0
[M+H-H2O]+ 314.13116 171.2
[M+HCOO]- 376.13210 198.5
[M+CH3COO]- 390.14775 214.6
[M+Na-2H]- 352.10857 181.0
[M]+ 331.13335 185.1
[M]- 331.13445 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.