CID 40361

1,3-benzodioxole, 2-(2-(benzylamino)ethyl)-2-methyl-, hydrochloride

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC1(OC2=CC=CC=C2O1)CCNCC3=CC=CC=C3
InChI
InChI=1S/C17H19NO2/c1-17(19-15-9-5-6-10-16(15)20-17)11-12-18-13-14-7-3-2-4-8-14/h2-10,18H,11-13H2,1H3
InChIKey
ZVGLIUGYLVBPTC-UHFFFAOYSA-N
Compound name
N-benzyl-2-(2-methyl-1,3-benzodioxol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.14157 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 162.0
[M+Na]+ 292.130788 169.0
[M-H]- 268.134294 170.6
[M+NH4]+ 287.175393 180.0
[M+K]+ 308.104728 167.1
[M+H-H2O]+ 252.138830 155.0
[M+HCOO]- 314.139771 184.2
[M+CH3COO]- 328.155421 174.5
[M+Na-2H]- 290.116236 170.1
[M]+ 269.14102142 164.3
[M]- 269.14211858 164.3
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

patents stripe