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]+ 298.143776 170.0
[M+Na]+ 320.125718 175.3
[M-H]- 296.129224 178.1
[M+NH4]+ 315.170323 182.8
[M+K]+ 336.099658 173.8
[M+H-H2O]+ 280.133760 161.4
[M+HCOO]- 342.134701 188.9
[M+CH3COO]- 356.150351 206.2
[M+Na-2H]- 318.111166 176.3
[M]+ 297.13595142 170.6
[M]- 297.13704858 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.