CID 13103178

Carbonic acid, (p-chloro-alpha-(2-(dimethylamino)ethyl)benzyl) phenyl ester, hydrochloride

Structural Information

Molecular Formula
C18H20ClNO3
SMILES
CN(C)CCC(C1=CC=C(C=C1)Cl)OC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C18H20ClNO3/c1-20(2)13-12-17(14-8-10-15(19)11-9-14)23-18(21)22-16-6-4-3-5-7-16/h3-11,17H,12-13H2,1-2H3
InChIKey
CFBGZGMRTGAWLD-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] phenyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11316 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12044 177.7
[M+Na]+ 356.10238 183.2
[M-H]- 332.10588 185.1
[M+NH4]+ 351.14698 192.2
[M+K]+ 372.07632 180.0
[M+H-H2O]+ 316.11042 169.7
[M+HCOO]- 378.11136 196.6
[M+CH3COO]- 392.12701 212.7
[M+Na-2H]- 354.08783 179.6
[M]+ 333.11261 183.6
[M]- 333.11371 183.6
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.