CID 3074736

1-propanone, 3-(dimethylamino)-1-(3,4-dipropoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCCOC1=C(C=C(C=C1)C(=O)CCN(C)C)OCCC
InChI
InChI=1S/C17H27NO3/c1-5-11-20-16-8-7-14(13-17(16)21-12-6-2)15(19)9-10-18(3)4/h7-8,13H,5-6,9-12H2,1-4H3
InChIKey
JCEDKIORKBVMQC-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.206376 172.7
[M+Na]+ 316.188318 177.6
[M-H]- 292.191824 176.9
[M+NH4]+ 311.232923 188.7
[M+K]+ 332.162258 176.7
[M+H-H2O]+ 276.196360 164.9
[M+HCOO]- 338.197301 195.9
[M+CH3COO]- 352.212951 212.1
[M+Na-2H]- 314.173766 173.5
[M]+ 293.19855142 179.8
[M]- 293.19964858 179.8
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.