CID 32077

Acetophenone, 3',4',5'-trimethoxy-2-((alpha-methylphenethyl)amino)-, hydrobromide

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC(CC1=CC=CC=C1)NCC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C20H25NO4/c1-14(10-15-8-6-5-7-9-15)21-13-17(22)16-11-18(23-2)20(25-4)19(12-16)24-3/h5-9,11-12,14,21H,10,13H2,1-4H3
InChIKey
FJUYDCZGGIMDKT-UHFFFAOYSA-N
Compound name
2-(1-phenylpropan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 182.9
[M+Na]+ 366.167558 188.0
[M-H]- 342.171064 189.3
[M+NH4]+ 361.212163 195.8
[M+K]+ 382.141498 185.7
[M+H-H2O]+ 326.175600 173.9
[M+HCOO]- 388.176541 205.2
[M+CH3COO]- 402.192191 217.5
[M+Na-2H]- 364.153006 183.6
[M]+ 343.17779142 188.3
[M]- 343.17888858 188.3
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.