CID 577693

N-(3-chloropropyl)-3,4-dimethoxy-n-methylphenethylamine

Structural Information

Molecular Formula
C14H22ClNO2
SMILES
CN(CCCCl)CCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C14H22ClNO2/c1-16(9-4-8-15)10-7-12-5-6-13(17-2)14(11-12)18-3/h5-6,11H,4,7-10H2,1-3H3
InChIKey
HJBBKVHYQQUPQW-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

271.1339 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14118 163.2
[M+Na]+ 294.12312 170.3
[M-H]- 270.12662 167.8
[M+NH4]+ 289.16772 181.3
[M+K]+ 310.09706 167.6
[M+H-H2O]+ 254.13116 156.9
[M+HCOO]- 316.13210 183.5
[M+CH3COO]- 330.14775 204.7
[M+Na-2H]- 292.10857 166.3
[M]+ 271.13335 171.1
[M]- 271.13445 171.1
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.