CID 601154

N-?acetyl-?4-brromo-2,5-dimethoxyamphetamine (n-acetyl-dob)

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(CC1=C(C=CC(=C1)OC)OC)NC(=O)C
InChI
InChI=1S/C13H19NO3/c1-9(14-10(2)15)7-11-8-12(16-3)5-6-13(11)17-4/h5-6,8-9H,7H2,1-4H3,(H,14,15)
InChIKey
MXPMBGGXIDITOG-UHFFFAOYSA-N
Compound name
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 154.7
[M+Na]+ 260.125708 161.0
[M-H]- 236.129214 158.4
[M+NH4]+ 255.170313 172.4
[M+K]+ 276.099648 160.2
[M+H-H2O]+ 220.133750 148.0
[M+HCOO]- 282.134691 177.8
[M+CH3COO]- 296.150341 196.9
[M+Na-2H]- 258.111156 157.1
[M]+ 237.13594142 158.3
[M]- 237.13703858 158.3
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.