CID 27016

N,n-dimethyl-alpha-phenyl-1,4-benzodioxan-6-ethylamine hydrochloride

Structural Information

Molecular Formula
C18H21NO2
SMILES
CN(C)C(CC1=CC2=C(C=C1)OCCO2)C3=CC=CC=C3
InChI
InChI=1S/C18H21NO2/c1-19(2)16(15-6-4-3-5-7-15)12-14-8-9-17-18(13-14)21-11-10-20-17/h3-9,13,16H,10-12H2,1-2H3
InChIKey
FTRXDSADUXZERB-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethyl-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 168.2
[M+Na]+ 306.14645 172.5
[M-H]- 282.14995 177.3
[M+NH4]+ 301.19105 182.0
[M+K]+ 322.12039 172.3
[M+H-H2O]+ 266.15449 159.4
[M+HCOO]- 328.15543 187.1
[M+CH3COO]- 342.17108 179.3
[M+Na-2H]- 304.13190 174.2
[M]+ 283.15668 168.7
[M]- 283.15778 168.7
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.