CID 4217400

477333-89-4

Structural Information

Molecular Formula
C17H17NO4
SMILES
COC1=CC=C(C=C1)C(=O)CCNC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H17NO4/c1-20-14-5-2-12(3-6-14)15(19)8-9-18-13-4-7-16-17(10-13)22-11-21-16/h2-7,10,18H,8-9,11H2,1H3
InChIKey
CYGVADOVFZTAFL-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-ylamino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11575 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 168.5
[M+Na]+ 322.10497 180.9
[M+NH4]+ 317.14957 176.1
[M+K]+ 338.07891 176.6
[M-H]- 298.10847 175.1
[M+Na-2H]- 320.09042 174.0
[M]+ 299.11520 172.1
[M]- 299.11630 172.1
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.