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]+ 344.18562 182.9
[M+Na]+ 366.16756 188.0
[M-H]- 342.17106 189.3
[M+NH4]+ 361.21216 195.8
[M+K]+ 382.14150 185.7
[M+H-H2O]+ 326.17560 173.9
[M+HCOO]- 388.17654 205.2
[M+CH3COO]- 402.19219 217.5
[M+Na-2H]- 364.15301 183.6
[M]+ 343.17779 188.3
[M]- 343.17889 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.