CID 13103178

88384-28-5

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]+ 334.120436 177.7
[M+Na]+ 356.102378 183.2
[M-H]- 332.105884 185.1
[M+NH4]+ 351.146983 192.2
[M+K]+ 372.076318 180.0
[M+H-H2O]+ 316.110420 169.7
[M+HCOO]- 378.111361 196.6
[M+CH3COO]- 392.127011 212.7
[M+Na-2H]- 354.087826 179.6
[M]+ 333.11261142 183.6
[M]- 333.11370858 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.