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 166.8
[M+Na]+ 308.12572 171.4
[M-H]- 284.12922 173.8
[M+NH4]+ 303.17032 181.1
[M+K]+ 324.09966 170.2
[M+H-H2O]+ 268.13376 159.7
[M+HCOO]- 330.13470 185.5
[M+CH3COO]- 344.15035 177.7
[M+Na-2H]- 306.11117 171.0
[M]+ 285.13595 167.2
[M]- 285.13705 167.2
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.