CID 4145514

477334-31-9

Structural Information

Molecular Formula
C18H19NO3
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C18H19NO3/c1-13-2-4-14(5-3-13)16(20)8-9-19-15-6-7-17-18(12-15)22-11-10-21-17/h2-7,12,19H,8-11H2,1H3
InChIKey
SUZSHGJPHHKPBA-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 170.1
[M+Na]+ 320.12572 183.9
[M+NH4]+ 315.17032 178.4
[M+K]+ 336.09966 176.6
[M-H]- 296.12922 178.0
[M+Na-2H]- 318.11117 176.8
[M]+ 297.13595 174.4
[M]- 297.13705 174.4
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.