CID 766936

312510-68-2

Structural Information

Molecular Formula
C18H19NO4
SMILES
COC1=CC=C(C=C1)C(=O)CCNC2=CC3=C(C=C2)OCCO3
InChI
InChI=1S/C18H19NO4/c1-21-15-5-2-13(3-6-15)16(20)8-9-19-14-4-7-17-18(12-14)23-11-10-22-17/h2-7,12,19H,8-11H2,1H3
InChIKey
HRNNZVHTFLJHCY-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

313.1314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 172.8
[M+Na]+ 336.12062 177.9
[M-H]- 312.12412 180.9
[M+NH4]+ 331.16522 184.8
[M+K]+ 352.09456 177.0
[M+H-H2O]+ 296.12866 163.9
[M+HCOO]- 358.12960 191.8
[M+CH3COO]- 372.14525 208.4
[M+Na-2H]- 334.10607 179.1
[M]+ 313.13085 174.8
[M]- 313.13195 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.