CID 90393

4'-methoxy-3-(2-phenethyl)aminopropiophenone hydrochloride

Structural Information

Molecular Formula
C18H21NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCNCCC2=CC=CC=C2
InChI
InChI=1S/C18H21NO2/c1-21-17-9-7-16(8-10-17)18(20)12-14-19-13-11-15-5-3-2-4-6-15/h2-10,19H,11-14H2,1H3
InChIKey
XILYSWQJFMOBQX-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(2-phenylethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.8
[M+Na]+ 306.146448 172.6
[M-H]- 282.149954 173.7
[M+NH4]+ 301.191053 182.8
[M+K]+ 322.120388 168.7
[M+H-H2O]+ 266.154490 159.2
[M+HCOO]- 328.155431 191.5
[M+CH3COO]- 342.171081 204.1
[M+Na-2H]- 304.131896 172.1
[M]+ 283.15668142 169.4
[M]- 283.15777858 169.4
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.