CID 29317

Bs-35

Structural Information

Molecular Formula
C17H19NO3
SMILES
CC(C(C1=CC=CC=C1)O)NCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H19NO3/c1-12(17(19)14-5-3-2-4-6-14)18-10-13-7-8-15-16(9-13)21-11-20-15/h2-9,12,17-19H,10-11H2,1H3
InChIKey
UZEJFZYIMRGMJP-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-ylmethylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 167.1
[M+Na]+ 308.12572 178.6
[M+NH4]+ 303.17032 175.1
[M+K]+ 324.09966 174.8
[M-H]- 284.12922 173.6
[M+Na-2H]- 306.11117 172.3
[M]+ 285.13595 170.5
[M]- 285.13705 170.5
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.