CID 3047636

4'-(2-hydroxy-3-diisopropylaminopropoxy)propiophenone hydrochloride

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CN(C(C)C)C(C)C)O
InChI
InChI=1S/C18H29NO3/c1-6-18(21)15-7-9-17(10-8-15)22-12-16(20)11-19(13(2)3)14(4)5/h7-10,13-14,16,20H,6,11-12H2,1-5H3
InChIKey
XHMRUVYUHYNDCM-UHFFFAOYSA-N
Compound name
1-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 178.3
[M+Na]+ 330.20397 180.8
[M-H]- 306.20747 180.9
[M+NH4]+ 325.24857 192.6
[M+K]+ 346.17791 180.3
[M+H-H2O]+ 290.21201 170.9
[M+HCOO]- 352.21295 196.8
[M+CH3COO]- 366.22860 214.0
[M+Na-2H]- 328.18942 175.1
[M]+ 307.21420 181.6
[M]- 307.21530 181.6
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.