CID 128820

N-depropylpropafenone

Structural Information

Molecular Formula
C18H21NO3
SMILES
C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCC(CN)O
InChI
InChI=1S/C18H21NO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13,19H2
InChIKey
HIGKMVIPYOFHBP-UHFFFAOYSA-N
Compound name
1-[2-(3-amino-2-hydroxypropoxy)phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

11
Patents

299.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 171.9
[M+Na]+ 322.14135 175.8
[M-H]- 298.14485 176.0
[M+NH4]+ 317.18595 185.1
[M+K]+ 338.11529 171.9
[M+H-H2O]+ 282.14939 163.5
[M+HCOO]- 344.15033 192.6
[M+CH3COO]- 358.16598 204.0
[M+Na-2H]- 320.12680 173.5
[M]+ 299.15158 171.5
[M]- 299.15268 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe