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]+ 294.20638 172.7
[M+Na]+ 316.18832 177.6
[M-H]- 292.19182 176.9
[M+NH4]+ 311.23292 188.7
[M+K]+ 332.16226 176.7
[M+H-H2O]+ 276.19636 164.9
[M+HCOO]- 338.19730 195.9
[M+CH3COO]- 352.21295 212.1
[M+Na-2H]- 314.17377 173.5
[M]+ 293.19855 179.8
[M]- 293.19965 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.