CID 3042067

1-(4-(benzyloxy)phenyl)-3-(dimethylamino)-1-propanone hydrochloride

Structural Information

Molecular Formula
C18H19NO3
SMILES
CN(C)CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H19NO3/c1-19(2)13-12-17(20)14-8-10-16(11-9-14)22-18(21)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKey
XJJOXILVWSVDOZ-UHFFFAOYSA-N
Compound name
[4-[3-(dimethylamino)propanoyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 170.2
[M+Na]+ 320.12572 175.1
[M-H]- 296.12922 177.8
[M+NH4]+ 315.17032 185.1
[M+K]+ 336.09966 173.2
[M+H-H2O]+ 280.13376 161.5
[M+HCOO]- 342.13470 193.8
[M+CH3COO]- 356.15035 209.0
[M+Na-2H]- 318.11117 172.6
[M]+ 297.13595 173.1
[M]- 297.13705 173.1
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.