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 170.0
[M+Na]+ 320.12572 175.3
[M-H]- 296.12922 178.1
[M+NH4]+ 315.17032 182.8
[M+K]+ 336.09966 173.8
[M+H-H2O]+ 280.13376 161.4
[M+HCOO]- 342.13470 188.9
[M+CH3COO]- 356.15035 206.2
[M+Na-2H]- 318.11117 176.3
[M]+ 297.13595 170.6
[M]- 297.13705 170.6
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.