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]+ 284.16451 167.8
[M+Na]+ 306.14645 172.6
[M-H]- 282.14995 173.7
[M+NH4]+ 301.19105 182.8
[M+K]+ 322.12039 168.7
[M+H-H2O]+ 266.15449 159.2
[M+HCOO]- 328.15543 191.5
[M+CH3COO]- 342.17108 204.1
[M+Na-2H]- 304.13190 172.1
[M]+ 283.15668 169.4
[M]- 283.15778 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.