CID 46181

Acetophenone, 3'-((3-diisopropylamino-2-hydroxy)propoxy)-, hydrochloride

Structural Information

Molecular Formula
C17H27NO3
SMILES
CC(C)N(CC(COC1=CC=CC(=C1)C(=O)C)O)C(C)C
InChI
InChI=1S/C17H27NO3/c1-12(2)18(13(3)4)10-16(20)11-21-17-8-6-7-15(9-17)14(5)19/h6-9,12-13,16,20H,10-11H2,1-5H3
InChIKey
NIDGVUXXKZQYKG-UHFFFAOYSA-N
Compound name
1-[3-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 173.6
[M+Na]+ 316.18832 176.5
[M-H]- 292.19182 176.4
[M+NH4]+ 311.23292 188.4
[M+K]+ 332.16226 176.3
[M+H-H2O]+ 276.19636 166.4
[M+HCOO]- 338.19730 192.4
[M+CH3COO]- 352.21295 211.1
[M+Na-2H]- 314.17377 171.0
[M]+ 293.19855 176.6
[M]- 293.19965 176.6
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.